Zhao, Zhiming et al. published their patent in 2021 |CAS: 153597-59-2

The Article related to pyrimidine pyridylamine triazole adenosine receptor antagonist immunomodulator antitumor, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Safety of Ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate

On September 24, 2021, Zhao, Zhiming; Liu, Lifeng; Liu, Qingyun; Wang, Hailong; Guan, Huiping; Da, Chenxiao; Chen, Xi; Xu, Guiliang published a patent.Safety of Ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate The title of the patent was Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions thereof and medical applications thereof. And the patent contained the following:

The invention discloses the polyheterocyclic substituted pyrimidine or pyridylamine derivatives (e.g., I) as adenosine receptor antagonists, which have significant adenosine A2A receptor and/or adenosine A2B receptor antagonistic activities. For example, 3-(2-amino-6-(1-((5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyrimidin-4-yl)-2-methylbenzonitrile (I) was prepared via reaction of 3-bromo-2-methylbenzonitrile with bis(pinacolato)diboron, followed by Suzuki coupling reaction with 2-amino-4,6-dichloropyrimidine, followed by Sonogashira coupling with (triisopropylsilyl)acetylene, followed by Click reaction with 2-(azidomethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole. The title compounds can be used in medicines for treating diseases mediated by adenosine A2A receptor and/or adenosine A2B receptor. The experimental process involved the reaction of Ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate(cas: 153597-59-2).Safety of Ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate

The Article related to pyrimidine pyridylamine triazole adenosine receptor antagonist immunomodulator antitumor, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Safety of Ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Eriksen, Birgitte Langer et al. published their patent in 2017 |CAS: 215610-30-3

The Article related to cycloalkylamino nitrogen heterocycle potassium channel modulator disease treatment prophylaxis, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Safety of 5-Methoxy-1H-pyrazole

On December 7, 2017, Eriksen, Birgitte Langer; Gustafsson, Magnus; Hougaard, Charlotte; Jacobsen, Thomas Amos; Jefson, Martin R.; Klein, Jessica; Larsen, Janus Schreiber; Lowe, John A., III; McCall, John M.; Strooebaek, Dorte; Von Schoubye, Nadia Lyboel; Keaney, Gregg F. published a patent.Safety of 5-Methoxy-1H-pyrazole The title of the patent was Preparation of cycloalkylamino nitrogen heterocycles as potassium channel modulators for the treatment and prevention of disorders. And the patent contained the following:

The invention relates to preparation of cycloalkylamino nitrogen heterocycles of formula I wherein all the variables are as defined in the disclosure, and pharmaceutically acceptable salts thereof, which are useful for treating a variety of diseases, disorders or conditions which can be affected by potassium channel modulation. Also provided are pharmaceutical compositions comprising the compounds I pharmaceutically acceptable salts thereof, and methods for their use in treating one or more diseases, disorders or conditions, associated with potassium channels. The experimental process involved the reaction of 5-Methoxy-1H-pyrazole(cas: 215610-30-3).Safety of 5-Methoxy-1H-pyrazole

The Article related to cycloalkylamino nitrogen heterocycle potassium channel modulator disease treatment prophylaxis, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Safety of 5-Methoxy-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Nicolaou, Kyriacos C. et al. published their patent in 2017 |CAS: 1187582-58-6

The Article related to epothilone analogs preparation antitumor, antibody epothilone analog conjugate preparation cancer cell targeting, Biomolecules and Their Synthetic Analogs: Other Bacterial and Fungal Metabolites and other aspects.Category: pyrazoles-derivatives

On April 20, 2017, Nicolaou, Kyriacos C.; Rhoades, Derek; Wang, Yanping; Totokotsopoulos, Sotirios published a patent.Category: pyrazoles-derivatives The title of the patent was Methods of synthesis, methods of treatment with, and drug conjugates of epothilone analogs. And the patent contained the following:

In one aspect, the present disclosure provides epothilone analogs I [wherein: X1 is absent, O or NRa; Ra is H, C≤8-alkyl, C≤8-cycloalkyl,(C≤6-alkyldiyl)-(C≤8-cycloalkyl), or a substituted version of either of these groups; provided that when X1 is absent, that the atoms to which it is attached are a part of a double bond;]. [X2, X3 and X4 are each independently O or NRb; wherein, Rb is H or C≤8-alkyl, C≤8-cycloalkyl, (C≤6-alkanediyl)-(C≤8-cycloalkyl), C≤b-aralkyl, or a substituted version of either of these groups;]. [Y1 and Y2 are each independently NH2, OH, or C≤8-alkoxy, C≤8-aralkoxy, C≤8-acyloxy, (C≤8-alkyl)amino, di(C≤8-alkyl)amino, C≤8-amido, or a substituted version of any of these groups, or ORc, wherein Rc is a hydroxy protecting group;]. [R1, R3, R4, R5, R6 and R7 are each independently H or C≤12-alkyl, C≤12-cycloalkyl, C≤12-alkenyl, C≤12-alkynyl, C≤12-aryl, or a substituted version of any of these groups; and,]. [R2 is C≤12-heteroaryl, C≤8-heteroarenediyl-Rd, or a substituted version of either of these groups; wherein Rd is C≤12-alkyl, C≤12-aryl, C≤12-aralkyl, C≤12-heteroaryl, C≤12-heteroaralkyl, or a substituted version of either of these groups;]. [Provided that R2 is not 2-methylthiazolyl, 2-(hydroxymethyl)thiazolyl, N-2-methyl-3- (methylthio)pyrazolyl or 2-(methylthio)thiazolyl;], or a pharmaceutically acceptable salt thereof. In another aspect, the present disclosure also provides methods of preparing the compounds disclosed herein. In another aspect, the present disclosure also provides pharmaceutical compositions and methods of use of the compounds disclosed herein. Addnl., drug conjugates with cell targeting moieties of the compounds are also provided. Thus, epothilone B pyrazole analog II was prepared and tested for pharmacol. activity [EC50 = 19 μM for induction of tubulin assembly; GI50 = 14 nM vs. MCF-7 cell line; GI50 = 38 nM vs. OVCAR-8 cell line]. The experimental process involved the reaction of 5-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole(cas: 1187582-58-6).Category: pyrazoles-derivatives

The Article related to epothilone analogs preparation antitumor, antibody epothilone analog conjugate preparation cancer cell targeting, Biomolecules and Their Synthetic Analogs: Other Bacterial and Fungal Metabolites and other aspects.Category: pyrazoles-derivatives

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Cregg, James Joseph et al. published their patent in 2020 |CAS: 1340372-11-3

The Article related to bicyclic heterocyclyl compound pyrrolopyrimidinamine cyclopentapyrimidinamine pyrimidoazepinamine preparation sos1 modulator, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Reference of 1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid

On September 10, 2020, Cregg, James Joseph; Buckl, Andreas; Aay, Naing; Tambo-Ong, Arlyn A.; Koltun, Elena S.; Gill, Adrian Liam; Thompson, Severin; Gliedt, Micah J. published a patent.Reference of 1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid The title of the patent was Preparation of bicyclic heterocyclyl compounds as SOS1 modulators. And the patent contained the following:

The present disclosure is directed to the title compounds I [Q1 = CH or N; Q4 = CH, C, or N; each Q2 = (independently) CR1 or N (wherein one Q2 = N and the other Q2 = CR1); each Q3 and Q5 = (independently) (un)substituted CH2, NH, CO, O, S, or SO2; wherein at least one of Q1-Q5 = N, (un)substituted NH, O, or SO2; m = 0-3; n = 0-3; wherein when m = 0, then n is not 0; R1 = H, alkyl, halo, etc.; L2 = a bond, C(O), C(O)O, etc.; R2 = H, alkyl, cycloalkyl, etc.; R3 and R4 = (independently) H or alkyl optionally substituted with halo or OH; wherein at least one of R3 and R4 = H or wherein R3 and R4 together with the atom to which they are attached combine to form a 3-6 membered cycloalkyl; A = (un)substituted 6-membered aryl or 5-6 membered heteroaryl; with the proviso] or pharmaceutically acceptable salts, solvates, isomers, prodrugs, or tautomers thereof, that are modulators of SOS1 and their use in the treatment of disease. E.g., a multi-step synthesis of (1R)-II, starting from 2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine and morpholine-4-carbonyl chloride, was described. Exemplified compounds I were evaluated for their activity as SOS1 modulators (data given for representative compounds I). Also disclosed are pharmaceutical compositions comprising compounds I. The experimental process involved the reaction of 1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid(cas: 1340372-11-3).Reference of 1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid

The Article related to bicyclic heterocyclyl compound pyrrolopyrimidinamine cyclopentapyrimidinamine pyrimidoazepinamine preparation sos1 modulator, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Reference of 1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Vu, Binh et al. published their patent in 2021 |CAS: 1340372-11-3

The Article related to heteroaryl indole preparation mutant p53 restoration cancer progression, dna binding oncogene p53 stabilization heteroaryl indole, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Recommanded Product: 1340372-11-3

On November 18, 2021, Vu, Binh; Dominique, Romyr; Li, Hongju; Fahr, Bruce; Good, Andrew published a patent.Recommanded Product: 1340372-11-3 The title of the patent was Preparation of heteroaryl-substituted indole derivatives for restoring mutant p53 function. And the patent contained the following:

Mutations in oncogenes and tumor suppressors contribute to the development and progression of cancer. The disclosure provided compounds of formula I capable of binding to mutant p53 and restoring the ability of the p53 mutant to bind DNA and activate downstream effectors involved in tumor suppression. Compounds of formula I [wherein X1 to X4 independently = N, O, S, (un)substituted C, etc.; X5 = CH, N, or (un)substituted NH; wherein at least one of X1 to X4 is a carbon atom connected to Q1; A = (un)substituted ring; Q1 = C=O, C=S, alkylene, etc.; m = 1, 2, 3, or 4; Y = N, O, or absent; R1 = alkyl, halo, (hetero)aryl, etc.; R2 = alkyl, alkenyl, aryl, etc.; R3 and R4 independently = alkyl, aryl, heteroaryl, etc.; R3 and R4 together with the nitrogen atom to which R3 and R4 are bound form a ring] and pharmaceutically acceptable salts thereof, are claimed and exemplified. Example compound II was prepared a multistep procedure (preparation given). Exemplified I were evaluated for DNA binding activity using recombinant His-tag Y220C p53 DBD protein and TR-FRET anal. with some invention candidates demonstrating SC150 results in the range of 0μM to less than 2μM. The disclosed compounds can be used to reduce the progression of cancers that contain a p53 mutation. The experimental process involved the reaction of 1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid(cas: 1340372-11-3).Recommanded Product: 1340372-11-3

The Article related to heteroaryl indole preparation mutant p53 restoration cancer progression, dna binding oncogene p53 stabilization heteroaryl indole, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Recommanded Product: 1340372-11-3

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Zou, Yiquan team published research in European Journal of Medicinal Chemistry in 2013 | 37622-90-5

HPLC of Formula: 37622-90-5, Ethyl 4-pyrazolecarboxylate, also known as Ethyl pyrazole-4-carboxylate, is a useful research compound. Its molecular formula is C6H8N2O2 and its molecular weight is 140.14 g/mol. The purity is usually 95%.

Ethyl pyrazole-4-carboxylate is a low yield, transition metal salt that is used in the synthesis of pyrazoles. It can be synthesized by the reaction of sodium ethoxide with ethyl chloroformate and a Grignard reagent. Sodium ethoxide is added to a suspension of sodium chloride and dried ethyl chloroformate, followed by addition of magnesium turnings. The mixture is refluxed for one hour, cooled, and filtered to give crystals. Ethyl pyrazole-4-carboxylate is used in the preparation of ethyl esters from aliphatic alcohols by reacting with boron trichloride or phosphorus pentachloride. It participates in certain chemical reactions as a byproduct and can damage equipment during chemical reactions. The yield of this compound can be increased by using an excess amount of Grignard reagent or adding hexamethylenetetramine to the reaction mixture, 37622-90-5.

Pyrazoles are synthesized by the reaction of α,β-unsaturated aldehydes with hydrazine and subsequent dehydrogenation. 37622-90-5, formula is C6H8N2O2, Name is Ethyl 4-pyrazolecarboxylate. Substituted pyrazoles are prepared by condensation of 1,3-diketones with hydrazine (Knorr-type reactions). For example, acetylacetone and hydrazine gives 3,5-dimethylpyrazole. HPLC of Formula: 37622-90-5.

Zou, Yiquan;Xu, Lei;Chen, Wuyan;Zhu, Yiping;Chen, Tiantian;Fu, Yan;Li, Li;Ma, Lanping;Xiong, Bing;Wang, Xin;Li, Jian;He, Jianhua;Zhang, Haiyan;Xu, Yechun;Li, Jia;Shen, Jingkang research published 《 Discovery of pyrazole as C-terminus of selective BACE1 inhibitors》, the research content is summarized as follows. We recently discovered and reported dual inhibitor 5 of AChE and BACE1 with N-benzylpiperidine Et as C-terminus. Compound 5 showed potent inhibitory activities for BACE1, and could reduce endogenous Aβ1-40 production in APP transgenic mice. In present work, we rapidly identified substituted triazole as the C-terminus of compound 5 by replacing the benzylpiperidine Et group with click chem. and tested these synthesized compounds by in situ screening assay. As revealed by the crystal structures of BACE1 in complex with our triazole compound 12, we found that Pro70 and Thr72 located in the flap region were the critical components for binding with these inhibitors. With the aid of the crystal structure, a new series of five-membered heterocyclic compounds was prepared in order to explore the structure-activity relationship (SAR) of this class of mols. From these efforts, pyrazole was discovered as a novel C-terminus of BACE1 inhibitors. After further modification of pyrazole with variable substituents, compound 37 exhibited good potency in enzyme inhibition assay (IC50 = 0.025 μM) and compound 33 showed moderate inhibition effects on Aβ production of APP transfected HEK293 cells. Moreover, these pyrazole derivatives demonstrated good selectivity vs. cathepsin D. Our results indicated that the vicinity of Pro70 and Thr72 might be utilized as a subsite, and the discovered pyrazole derivatives might provide useful hints for developing novel BACE1 inhibitors as anti-AD drugs.

HPLC of Formula: 37622-90-5, Ethyl 4-pyrazolecarboxylate, also known as Ethyl pyrazole-4-carboxylate, is a useful research compound. Its molecular formula is C6H8N2O2 and its molecular weight is 140.14 g/mol. The purity is usually 95%.

Ethyl pyrazole-4-carboxylate is a low yield, transition metal salt that is used in the synthesis of pyrazoles. It can be synthesized by the reaction of sodium ethoxide with ethyl chloroformate and a Grignard reagent. Sodium ethoxide is added to a suspension of sodium chloride and dried ethyl chloroformate, followed by addition of magnesium turnings. The mixture is refluxed for one hour, cooled, and filtered to give crystals. Ethyl pyrazole-4-carboxylate is used in the preparation of ethyl esters from aliphatic alcohols by reacting with boron trichloride or phosphorus pentachloride. It participates in certain chemical reactions as a byproduct and can damage equipment during chemical reactions. The yield of this compound can be increased by using an excess amount of Grignard reagent or adding hexamethylenetetramine to the reaction mixture, 37622-90-5.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Zhuo, Lin-Sheng team published research in Journal of Medicinal Chemistry in 2021 | 761446-44-0

761446-44-0, 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a useful research compound. Its molecular formula is C10H17BN2O2 and its molecular weight is 208.07 g/mol. The purity is usually 95%., COA of Formula: C10H17BN2O2

Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. 761446-44-0, formula is C10H17BN2O2, Name is 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. COA of Formula: C10H17BN2O2.

Zhuo, Lin-Sheng;Wang, Ming-Shu;Wu, Feng-Xu;Xu, Hong-Chuang;Gong, Yi;Yu, Zhi-Cheng;Tian, Yan-Guang;Pang, Chao;Hao, Ge-Fei;Huang, Wei;Yang, Guang-Fu research published 《 Discovery of Next-Generation Tropomyosin Receptor Kinase Inhibitors for Combating Multiple Resistance Associated with Protein Mutation》, the research content is summarized as follows. Tropomyosin receptor kinase (TRK) inhibition is an effective therapeutic approach for treatment of a variety of cancers. Despite the use of first-generation TRK inhibitor (TRKI) larotrectinib (1) resulting in significant therapeutic response in patients, acquired resistance develops invariably. The emergence of secondary mutations occurring at the solvent-front, xDFG, and gatekeeper regions of TRK represents a common mechanism for acquired resistance. However, xDFG mutations remain insensitive to second-generation macrocyclic TRKIs selitrectinib (3) and repotrectinib (4) designed to overcome the resistance mediated by solvent-front and gatekeeper mutations. Here, we report the structure-based drug design and discovery of a next-generation TRKI. The structure-activity relationship studies culminated in the identification of a promising drug candidate 8 that showed excellent in vitro potency on a panel of TRK mutants, especially TRKAG667C in the xDFG motif, and improved in vivo efficacy than 1 and 3 in TRK wild-type and mutant fusion-driven tumor xenograft models, resp.

761446-44-0, 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a useful research compound. Its molecular formula is C10H17BN2O2 and its molecular weight is 208.07 g/mol. The purity is usually 95%., COA of Formula: C10H17BN2O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Zhu, Shuangfei team published research in Materials Chemistry and Physics in 2022 | 2075-46-9

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Quality Control of 2075-46-9

Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. 1-Methyl-5-(trifluoromethyl)pyrazole underwent deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Quality Control of 2075-46-9.

Zhu, Shuangfei;Yang, Wei;Gan, Qiang;Cheng, Nianshou;Feng, Changgen research published 《 Comparative study on the thermal decomposition of structural isomers: Pyrazole and imidazole energetic materials》, the research content is summarized as follows. Exploration of the thermal decay mechanisms of energetic skeletons supports the understanding of stability and energy release. Herein, the thermal decomposition is comparatively investigated of energetic isomers nitropyrazole and nitroimidazoles at high temperature and high d. based on ReaxFF-lg reactive mol. dynamics simulations, which have not been fully understood. Results show that the initial decomposition reaction of nitropyrazole and nitroimidazole were triggered by the OH elimination as a result of intermol. H-shift. The N2 elimination plays a major role in the decomposition of pyrazoles, while the formation of hydrogen cyanide CHN is the main decomposition channel of imidazoles. Another important channel of their nitro derivatives is C-NO2 bond dissociation At high d., the cleavage of C-NO2 bonds is inhibited, and the reactions between mols. are promoted, therefore the dimers are easier to produce. Detailed evolution yields of key intermediates, final gaseous products, and clusters are also presented to study the difference in the thermal decay of pyrazoles and imidazoles, as well as the effect of pressure. Overall, these thermolysis properties of nitropyrazole and nitroimidazole are expected to gain more knowledge to the diversity of thermal decomposition of energetic isomers.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Quality Control of 2075-46-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Zhu, Shuang-fei team published research in ACS Omega in 2019 | 2075-46-9

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Product Details of C3H3N3O2

Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. 1-Methyl-5-(trifluoromethyl)pyrazole underwent deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Product Details of C3H3N3O2.

Zhu, Shuang-fei;Gan, Qiang;Feng, Changgen research published 《 Multimolecular Complexes of CL-20 with Nitropyrazole Derivatives: Geometric, Electronic Structure, and Stability》, the research content is summarized as follows. The multimol. complexes formed between 2,4,6,8,10,12-hexanitro-2,4,6,6,8,10,12-hexaazaisowurtzitane (CL-20) and nitropyrazole compounds were investigated using B3LYP-D3/6-311G(d,p) and B97-3c methods. CL-20 in these complexes was surrounded by Me, nitro, and amino derivatives of 4-nitropyrazole. The influence of substituents on the mol. electrostatic potential distribution of nitropyrazoles was investigated to figure out the potential electrostatic interaction sites. For the complex, the O···H hydrogen bond was popular in the intermol. interactions, and dispersion interaction played an essential role, especially in Cx/CL-20 multimol. complexes. Trigger bond anal. showed that their strength increased upon the formation of intermol. weak interactions. Nitro group charge calculations stated that the neg. charge on almost all nitro groups showed a significant increase. Therefore, the sensitivity of CL-20 seemed to be lower than the original. In addition, the transfer of electron d. between CL-20 and nitropyrzoles in complexes was investigated, revealing the influence of weak interactions on the electron d. of CL-20.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Product Details of C3H3N3O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Zhou, Ru-Shuang team published research in Synlett in 2022 | 2075-46-9

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Product Details of C3H3N3O2

Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. 1-Methyl-5-(trifluoromethyl)pyrazole underwent deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Product Details of C3H3N3O2.

Zhou, Ru-Shuang;Cai, Chun research published 《 C-H Amination of Nitro Azaheterocyclic Compounds by Vicarious Nucleophilic Substitution》, the research content is summarized as follows. Various nitro azaheterocyclic compounds were subjected to C-H amination by vicarious nucleophilic substitution with 4H-1,2,4-triazol-4-amine (ATA). The aminated products were characterized by NMR, mass spectroscopy, and single-crystal X-ray diffraction analyses. The substrates examined gave moderate to excellent yields (30-88%) and showed good regioselectivities. This protocol offers the advantages of mild conditions, a short reaction time (2-4 h), and an inexpensive, com. available, and less-toxic amination reagent; moreover, no addnl. catalyst or reagent is needed. A possible reaction mechanism is discussed.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Product Details of C3H3N3O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics