Day: October 14, 2022

El Hammadi, A.; El Mouhtadi, M. published an article on February 1 ,2000. The article was titled 《The theoretical determination of heats of formation, proton affinities and gas basicities of N and C-substituted pyrazoles: analysis of the substituent effects on the gas-phase basicity》, and you may find the article in Journal of Molecular Structure: THEOCHEM.Reference of 1-Butyl-1H-pyrazole The information in the text is summarized as follows:

The MP2(FC)/6-31G* energies calculation, with complete optimization geometries at RHF/6-31G* level, was carried out on the neutral and protonated forms of C and N-mono-substituted pyrazoles (28 R-C(n)Pz and 12 R’-NPz with n = 3, 4 and 5; R = R’=H, Me, CHO, CN, NH2, NO, NO2, OH, F and Cl, and R’=Et, Pr and Ph) and some related compounds (Pyridine, 2-methylpyridine, 3-methylpyridine, Pyrrole and N-methylpyrrole). The heats of formation (using isodesmic reaction), the proton affinities (PA) and the gas basicities (GB) were determined for pyrazole derivatives The results are consistent with the exptl. evidence and provide a better understanding of the structures and energies for mono-substituted pyrazoles. Also, the RHF/6-31G* geometrical parameters are compared with those obtained by AM1 method, the agreement is satisfying. Linear relations are found between AM1 and MP2(FC)/6-31G*//6-31G* for heats of formation and for PAs of R-C(n)Pz and R’-NPz. Many pyrazole derivatives fit correlation well. Also, the structures and heats of formation for sizeable N-mono-substituted pyrazoles (17 compounds), which are interesting in chem. area, was also optimized by AM1, their PAs are scaled with a reasonable precision. Substituent electronic effects (SE) was analyzed in terms of polarizability, field, and resonance contributions using the Taft-Topsom model. The SE on N atom N(1) differs notably from those on C atoms C(3), C(4) and C(5). The origin of this difference was discussed yet. The results came from multiple reactions, including the reaction of 1-Butyl-1H-pyrazole(cas: 52096-24-9Reference of 1-Butyl-1H-pyrazole)

1-Butyl-1H-pyrazole(cas: 52096-24-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Reference of 1-Butyl-1H-pyrazole

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

In 1988,Bulychev, Yu. N.; Preobrazhenskaya, M. N.; Chernyshev, A. I.; Esipov, S. E. published 《N-Alkylation of substituted pyrazoles and pyrazolo[3,4-d]pyrimidines by dimethylformamide diethyl acetal or orthoformate》.Khimiya Geterotsiklicheskikh Soedinenii published the findings.SDS of cas: 15366-34-4 The information in the text is summarized as follows:

Alkylating pyrazolecarboxylate I (R = R1 = H) by DMF di-Et acetal or HC(OEt)3 gives mixtures containing 41 and 38% I (R = Et, R1 = H) and 36 and 23% I (R = H, R1 = Et), resp. Similarly, alkylation of pyrazolopyrimidine II (R2 = MeS, R3 = H) gave 60 and 43% III, resp. Addnl. obtained were III (R2 = R3 = MeS, EtS; R2 = EtO, MeS). The results came from multiple reactions, including the reaction of Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4SDS of cas: 15366-34-4)

Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.SDS of cas: 15366-34-4

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

In 1988,Tserunyan, V. V.; Asratyan, G. V.; Darbinyan, E. G. published 《Intramolecular hydrogen bond in 1-vinyl-5-pyrazolecarboxylic acid esters》.Khimiya Geterotsiklicheskikh Soedinenii published the findings.Computed Properties of C5H6N2O2 The information in the text is summarized as follows:

Pyrazolecarboxylates I (R = Me, Et, CHMe2, Bu; R1 = H) reacted with vinyl acetate in the presence of Hg(OAc)2 to give I (same R; R1 = vinyl) and their isomers (II). Intramol. H bonding between the α proton of the vinyl group and the carbonyl O was detected in II by NMR. After reading the article, we found that the author used Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Computed Properties of C5H6N2O2)

Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Computed Properties of C5H6N2O2

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

In 2010,Kuduk, Scott D.; Di Marco, Christina N.; Cofre, Victoria; Pitts, Daniel R.; Ray, William J.; Ma, Lei; Wittmann, Marion; Veng, Lone; Seager, Matthew A.; Koeplinger, Kenneth; Thompson, Charles D.; Hartman, George D.; Bilodeau, Mark T. published 《N-Heterocyclic derived M1 positive allosteric modulators》.Bioorganic & Medicinal Chemistry Letters published the findings.Synthetic Route of C4H3F3N2 The information in the text is summarized as follows:

Replacement of a Ph ring with N-linked heterocycles in a series of quinolone carboxylic acid M1 pos. allosteric modulators was investigated. In particular, the pyrazole derivative I exhibited improvements in potency, free fraction, and CNS exposure. In the experimental materials used by the author, we found 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Synthetic Route of C4H3F3N2)

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Synthetic Route of C4H3F3N2

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

《Bridge-Clamp Bis(tetrazine)s with [N]8 π-Stacking Interactions and Azido-s-Aryl Tetrazines: Two Classes of Doubly Clickable Tetrazines》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Mboyi, Cleve D.; Vivier, Delphine; Daher, Ahmad; Fleurat-Lessard, Paul; Cattey, Helene; Devillers, Charles H.; Bernhard, Claire; Denat, Franck; Roger, Julien; Hierso, Jean-Cyrille. Application of 20154-03-4 The article mentions the following:

Click chem. at a tetrazine core is useful for bioorthogonal labeling and crosslinking. Introduced here are two new classes of doubly clickable s-aryl tetrazines synthesized by Cu-catalyzed cross-coupling. Homocoupling of o-brominated s-aryl tetrazines leads to bis(tetrazine)s structurally characterized by tetrazine cores arranged face-to-face. [N]8 π-stacking interactions are essential to the conformation. Upon inverse electron demand Diels-Alder (iEDDA) cycloaddition, the bis(tetrazine)s produce a unique staple structure. The o-azidation of s-aryl tetrazines introduces a second proximal intermol. clickable function that leads to double click chem. opportunities. The stepwise introduction of fluorophores and then iEDDA cycloaddition, including bioconjugation to antibodies, was achieved on this class of tetrazines. This method extends to (thio)etherification, phosphination, trifluoromethylation and the introduction of various bioactive nitrogen-based heterocycles. The experimental part of the paper was very detailed, including the reaction process of 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Application of 20154-03-4)

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Application of 20154-03-4

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

Electric Literature of C4H3F3N2In 2010 ,《A novel series of positive modulators of the AMPA receptor: Discovery and structure based hit-to-lead studies》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Jamieson, Craig; Basten, Stephanie; Campbell, Robert A.; Cumming, Iain A.; Gillen, Kevin J.; Gillespie, Jonathan; Kazemier, Bert; Kiczun, Michael; Lamont, Yvonne; Lyons, Amanda J.; MacLean, John K. F.; Moir, Elizabeth M.; Morrow, John A.; Papakosta, Marianthi; Rankovic, Zoran; Smith, Lynn. The article conveys some information:

Starting from an HTS derived hit 1, application of biostructural data facilitated rapid optimization to lead 22 (I), a novel AMPA receptor modulator. This is the first demonstration of how structure based drug design can be exploited in an optimization program for a glutamate receptor. In the part of experimental materials, we found many familiar compounds, such as 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Electric Literature of C4H3F3N2)

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Electric Literature of C4H3F3N2

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

COA of Formula: C4H3F3N2In 2010 ,《Pyrazole synthesis under microwave irradiation and solvent-free conditions》 appeared in Journal of the Brazilian Chemical Society. The author of the article were Buriol, Lilian; Frizzo, Clarissa P.; Marzari, Mara R. B.; Moreira, Dayse N.; Prola, Lizie D. T.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.. The article conveys some information:

Solvent-free reaction conditions using microwave irradiation (MW) were studied in preparation of 4,5-dihydro-1H-pyrazoles and dehydrated pyrazoles by the cyclocondensation reaction of 4-alkoxy-1,1,1-trifluoro-3-alken-2-ones [CF3C(O)CH=C(R1)OR, where R/R1 = Et/H, Me/Me and Me/Ph] with hydrazines [NH2NH-R2, where R2 = CO2Me, Ph, CH2CH2OH]. Some reactions were performed under the same reaction conditions using methanol as solvent. The results obtained using MW equipment for synthesis under solvent-free conditions were also compared with those described in literature for conventional thermal heating and heating with a domestic MW oven. In general, the products furnished by reaction in MW equipment for synthesis presented better yields and shorter reaction times. In addition, it was demonstrated that the reaction temperature altered the formation of products for each hydrazine showing that MW equipment for synthesis is efficient for reacting hydrazines and 4-alkoxy-1,1,1-trifluoro-3-alken-2-ones to procedure the products 4,5-dihydro-1H-pyrazoles and dehydrated pyrazoles. The experimental part of the paper was very detailed, including the reaction process of 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4COA of Formula: C4H3F3N2)

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.COA of Formula: C4H3F3N2

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

Name: 3-(Trifluoromethyl)-1H-pyrazoleIn 2015 ,《Synthesis, characterization, and ethylene polymerization behavior of Cr(III) catalysts based on bis(pyrazolylmethyl)pyridine and its derivatives》 appeared in Journal of Molecular Catalysis A: Chemical. The author of the article were Woo, Jeong Oh; Kang, Sung Kwon; Park, Jong-Eun; Son, Kyung-sun. The article conveys some information:

New chromium(III) [Cr(III)] catalysts based on 2,6-bis(1-pyrazolylmethyl)pyridine derivatives have been synthesized, characterized, and evaluated for ethylene polymerization All ligands with substituents on the pyrazole rings were analyzed by single-crystal X-ray diffraction to clearly identify isomer structures. Addnl., X-ray analyses of a new Cr(III) complex bearing 2,6-bis[(4,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine showed tridentate coordination on the mer-octahedral chromium sphere. Upon activation with dry Me aluminoxane, the precatalysts produce polyethylene (PE) as a major product, and their catalytic performances were affected by the substituents on the pyrazole units; the introduction of functional groups on the pyrazole compositions and the mol. weight of the PE. The experimental process involved the reaction of 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Name: 3-(Trifluoromethyl)-1H-pyrazole)

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Name: 3-(Trifluoromethyl)-1H-pyrazole

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

Recommanded Product: Methyl 1H-pyrazole-3-carboxylateIn 1991 ,《Effect of electron-withdrawing groups on the thermal ring opening of 3H-pyrazoles to diazoalkenes》 was published in Journal of Chemical Research, Synopses. The article was written by Nakano, Yoshihiko; Hamaguchi, Masashi; Nagai, Toshikazu. The article contains the following contents:

3-Cyano-3H-pyrazoles, bearing a cyano, a p-chlorophenyl, or a p-chlorobenzyl group at C-3, e.g. I, generated from elimination reaction of the corresponding dihydropyrazoles with a leaving group such as a chlorine or p-chlorobenzoyloxy group, gave diazoalkene derivatives, resulting from the ring-opening of the 3H-pyrazoles. 3-Methoxycarbonyl-3H-pyrazoles bearing a methoxycarbonyl, a p-chlorophenyl, or p-chlorobenzyl group at C-3, prepared in a similar manner, gave mainly 1-methoxycarbonyl-1H-pyrazole derivatives, resulting from migration of the 3-methoxycarbonyl group to the adjacent nitrogen within the generated 3H-pyrazoles. Treatment of 3H-pyrazoles and 5-substituted 1-methoxycarbonyl-1H-pyrazoles with triethylamine gave 3-substituted 1-methoxycarbonyl-1H-pyrazoles, resulting from migration of the methoxycarbonyl group to the remote nitrogen. The experimental part of the paper was very detailed, including the reaction process of Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Recommanded Product: Methyl 1H-pyrazole-3-carboxylate)

Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Recommanded Product: Methyl 1H-pyrazole-3-carboxylate

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

Application of 847818-74-0In 2018 ,《Discovery of a Potent Thiazolidine Free Fatty Acid Receptor 2 Agonist with Favorable Pharmacokinetic Properties》 was published in Journal of Medicinal Chemistry. The article was written by Hansen, Anders Hoejgaard; Sergeev, Eugenia; Bolognini, Daniele; Sprenger, Richard R.; Ekberg, Jeppe Hvidtfeldt; Ejsing, Christer S.; McKenzie, Christine J.; Rexen Ulven, Elisabeth; Milligan, Graeme; Ulven, Trond. The article contains the following contents:

Free fatty acid receptor 2 (FFA2/GPR43) is a receptor for short-chain fatty acids reported to be involved in regulation of metabolism, appetite, fat accumulation, and inflammatory responses and is a potential target for treatment of various inflammatory and metabolic diseases. By bioisosteric replacement of the central pyrrolidine core of a previously disclosed FFA2 agonist with a synthetically more tractable thiazolidine, authors were able to rapidly synthesize and screen analogs modified at both the 2- and 3-positions on the thiazolidine core. Herein, they report SAR exploration of thiazolidine FFA2 agonists and the identification of (2R,4R)-2-(2-chlorophenyl)-3-(4-(3,5-dimethylisoxazol-4-yl)benzoyl)thiazolidine-4-carboxylic acid (31, TUG-1375), a compound with significantly increased potency (7-fold in a cAMP assay) and reduced lipophilicity (50-fold reduced clogP) relative to the pyrrolidine lead structure. The compound has high solubility, high chem., microsomal, and hepatocyte stability, and favorable pharmacokinetic properties and was confirmed to induce human neutrophil mobilization and to inhibit lipolysis in murine adipocytes. The experimental process involved the reaction of 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0Application of 847818-74-0)

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities. Application of 847818-74-0

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