Tag: M.W=0-100

An article Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: Anticancer evaluation and theoretical studies WOS:000473377900014 published article about SUPRAMOLECULAR ASSOCIATION; COORDINATION-COMPLEXES; NICKEL(II) COMPLEXES; CYTOTOXIC ACTIVITIES; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURE; BLISTER BEETLES; PROTEIN-BINDING; PI INTERACTIONS; CU(II) in [Gogoi, Anshuman; Dutta, Debajit; Nath, Hiren; Guha, Ankur K.; Bhattacharyya, Manjit K.] Cotton Univ, Dept Chem, Gauhati 781001, Assam, India; [Verma, Akalesh K.] Cotton Univ, Dept Zool, Cell & Biochem Technol Lab, Gauhati 781001, Assam, India; [Frontera, Antonio] Univ Illes Balears, Dept Quim, Crta Valldemossa Km 7-7, Palma De Mallorca 07122, Baleares, Spain in 2019.0, Cited 94.0. Quality Control of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Two new Ni(II) coordination complexes of pyrazole and acetato ligands, involving nitrate and chloride counter anions, viz. [Ni(Hdmpz)(2)(CH3COO)(H2O)(3)]NO3 center dot 2H(2)O (1) and [Ni(Hdmpz)(2)(CH3COO)(H2O)(3)]Cl (2) (where Hdmpz = 3,5-dimethylpyrazole), have been synthesized in purely aqueous medium at room temperature. The complexes have been characterized by elemental analysis, FT-IR, electronic spectroscopy, PXRD, TGA and single crystal X-ray diffraction. The H-bonds established between the isostructural cationic [Ni(Hdmpz)(2)(CH3COO)(H2O)(3)](+) moieties of both complexes can be classified as anti-electrostatic H-bonds (AEHBs) and these have been studied using DFT calculations. Remarkably, in one case these AEHBs exhibit favorable interaction energies, thus indicating that the attractive nature of the H-bonds is able to compensate the pure electrostatic repulsion. The analyses of the cell viability results for the DL cell line show a significant concentration dependent decrease by compounds 1 and 2 with a negligible cytotoxic effect observed against normal cells (PBMC) in comparison to the cancer cells (DL). The cytotoxic activity of these compounds in DL cells occurs via apoptosis. Molecular docking and SAR analysis reveal that the compounds possess high binding affinities against most common cancer target proteins. (C) 2019 Elsevier Ltd. All rights reserved.

Quality Control of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Gogoi, A; Dutta, D; Verma, AK; Nath, H; Frontera, A; Guha, AK; Bhattacharyya, MK or concate me.

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

An article Iridium(III) Complexes Bearing a Formal Tetradentate Coordination Chelate: Structural Properties and Phosphorescence Fine-Tuned by Ancillaries WOS:000506719300055 published article about CYCLOMETALATED IR(III) COMPLEXES; C-H ACTIVATION; PHOTOPHYSICAL PROPERTIES; LIGANDS; RHODIUM; DESIGN; BIDENTATE; PYRAZOLE; HYDRIDE in [Yuan, Yi; Lee, Chun-Sing; Chi, Yun] City Univ Hong Kong, Dept Mat Sci & Engn, Dept Chem, Hong Kong, Peoples R China; [Yuan, Yi; Lee, Chun-Sing] City Univ Hong Kong, Ctr Super Diamond & Adv Films COSDAF, Hong Kong, Peoples R China; [Gnanasekaran, Premkumar; Chen, Yu-Wen; Chi, Yun] Natl Tsing Hua Univ, Dept Chem, Hsinchu 30013, Taiwan; [Gnanasekaran, Premkumar; Chen, Yu-Wen; Chi, Yun] Natl Tsing Hua Univ, Frontier Res Ctr Fundamental & Appl Sci Matters, Hsinchu 30013, Taiwan; [Lee, Gene-Hsiang] Natl Taiwan Univ, Instrumentat Ctr, Taipei 10617, Taiwan; [Ni, Shao-Fei] Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Guangdong, Peoples R China in 2020.0, Cited 53.0. Safety of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Synthesis of the multidentate coordinated chelate N3C-H-2, composed of a linked functional pyridyl pyrazole fragment plus a peripheral phenyl and pyridyl unit, was obtained using a multistep protocol. Preparation of Ir(III) metal complexes bearing a N3C chelate in the tridentate (kappa(3)), tetradentate (kappa(4)), and pentadentate (kappa(5)) modes was executed en route from two nonemissive dimer intermediates [Ir(kappa(3)-N3CH)Cl-2](2) (1) and [Ir(kappa(4)-N3C)Cl](2) (2). Next, a series of mononuclear Ir(III) complexes with the formulas [Ir(kappa(4)-N3C)Cl(py)] (3), [Ir(kappa(4)-N3C)Cl(dmap)] (4), [Ir(kappa(4)-N3C)-Cl(mpzH)] (5), and [Ir(kappa(4)-N3C)Cl(dmpzH)] (6), as well as diiridium complexes [Ir-2(kappa(5)-N3C)-(mpz)(2)(CO)(H)(2)] (7) and [Ir-2(kappa(5)-N3C)-(dmpz)(2)(CO)(H)(2)] (8), were obtained upon treatment of dimer 2 with pyridine (py), 4-dimethylaminopyridine (dmap), 4-methylpyrazole (mpzH), and 3,5-dimethylpyrazole (dmpzH), respectively. These Ir(III) metal complexes were identified using spectroscopic methods and by X-ray crystallographic analysis of representative derivatives 3, 5, and 7. Their photophysical and electrochemical properties were investigated and confirmed by the theoretical simulations. Notably, green-emitting organic light-emitting diode (OLED) on the basis of Ir(III) complex 7 gives a maximum external quantum efficiency up to 25.1%. This result sheds light on the enormous potential of this tetradentate coordinated chelate in the development of highly efficient iridium complexes for OLED applications.

Safety of 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Yuan, Y; Gnanasekaran, P; Chen, YW; Lee, GH; Ni, SF; Lee, CS; Chi, Y or concate me.

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

In 2021.0 ORG LETT published article about ASYMMETRIC ALPHA-AMINATION; VINYLOGOUS ALDOL REACTION; ELECTROPHILIC AMINATION; HIGHLY REGIO; KETONES; ACCESS; ENALS; BONDS in [Fu, Xin; Duan, Abing] Hunan Univ, Coll Environm Sci & Technol, Changsha 410082, Peoples R China; [Fu, Xin; Hao, Yu; Bai, He-Yuan; Zhang, Shu-Yu] Shanghai Jiao Tong Univ, Key Lab Thin Film & Microfabricat Technol, Minist Educ, Sch Chem & Chem Engn, Shanghai 200240, Peoples R China; [Fu, Xin; Hao, Yu; Bai, He-Yuan; Zhang, Shu-Yu] Shanghai Jiao Tong Univ, Shanghai Key Lab Mol Engn Chiral Drugs, Shanghai 200240, Peoples R China in 2021.0, Cited 62.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. COA of Formula: C5H8N2

A cobalt-catalyzed regio- and enantioselective gamma-amination of beta,gamma-unsaturated N-acylpyrazoles that delivers the corresponding gamma-amination products in good regio- and enantioselectivity has been established. Moreover, the nitrogen-containing compounds could be easily synthesized. DFT calculations have been provided to explain regio- and enantioselectivity for this gamma-amination. The chiral gamma-amination products were readily converted into the chiral gamma-amino acid derivatives.

COA of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Fu, X; Hao, Y; Bai, HY; Duan, AB; Zhang, SY or concate me.

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

Recently I am researching about SOL-GEL COATINGS; MILD-STEEL; DERIVATIVES; ACID; PROTECTION, Saw an article supported by the Azarbaijan Shahid Madani University. SDS of cas: 67-51-6. Published in TAYLOR & FRANCIS LTD in ABINGDON ,Authors: Masoumi, A; Sadr, MH; Soltani, B. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

A series of pyrazole ligands named as 1,4-bis(3,5-dimethylpyrazol-1-yl)butane (bbd), 1,3-bis(3,5-dimethylpyrazol-1-yl)propane (bdpp), and 1,3-bis(3,5-dimethylpyrazol-1-yl)propane-2-ol (bdpo) along with their transition metal complexes including [Cu-2(mu(3)-SCN)(2)(mu-bbd)](n), [Cu-2(mu(3)-SCN)(2)(mu-bdpp)](n), and [Cu2Hg(mu(2)-SCN)(2)(bdpo)(2)(CH3COO)(2)](n)were synthesized and characterized using FT-IR and Uv-vis spectroscopies, as well as thermal gravimetric analysis. The prepared compounds were investigated as corrosion inhibitors to protect mild steel in 0.5 M H(2)SO(4)solution. Corrosion tests were performed by electrochemical impedance spectroscopy and potentiodynamic polarization measurements. The pyrazole ligands exhibited inhibition efficiencies in a range of 38-78%, which introduced them as moderate inhibitors. On the other hand, the pyrazole complexes showed inhibition efficiencies higher than 85%, demonstrating their high potentials to mitigate the steel corrosion. In addition, the bimetallic complex resulted in higher corrosion resistance than the two monometallic complexes. This was evidence of a critical role of the coordinated metal of the complex in forming an adhesive protection film on the steel surface.

SDS of cas: 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Masoumi, A; Sadr, MH; Soltani, B or concate me.

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

An article Nonmetallic Pentazole Salts Based on Furazan or 4-Nitropyrazole for Enhancing Density and Stability WOS:000648580100014 published article about EINES KLASSISCHEN PROBLEMS; PI-STACKING; CHEMISTRY; ANION; CYCLO-N-5(-) in [Hu, Wei; Yang, Hongwei; Chen, Jieyi; Zhang, Chong; Sun, Chengguo; Hu, Bingcheng; Cheng, Guangbin] Nanjing Univ Sci & Technol, Sch Chem Engn, Nanjing 210094, Jiangsu, Peoples R China in 2021.0, Cited 36.0. Recommanded Product: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

In this work, three novel nonmetallic pentazole salts (6-8) based on furazan or 4-nitropyrazole were synthesized. Some coplanar groups were introduced into the compounds to improve the planarity of the crystal packing. 4-Amino-1,2,5-oxadiazole-3-carbohydrazonamide pentazolate (6), 5-(4-amino-1,2,5-oxadiazol-3-yl)-4H-1,2,4-triazole-3,4-diamine pentazolate (7), and 5,5′-(4-nitro-1H-pyrazole-3,5- diyl)-bis(4H-1,2,4-triazole-3,4-diamine) pentazolate (8) all show more stable pi-pi stacking and exhibit superior thermal stability (110.5-116.4 degrees C) than most other reported nonmetallic pentazole salts (T-onset: 80-110 degrees C), and compound 8 has the highest crystal density (1.722 g.cm(-3)/173 K) of nonmetallic pentazole salts to date. All salts have been thoroughly characterized by NMR (H-1 and C-13) spectroscopy, infrared (IR), Roman (RA), and elemental analysis. The decomposition temperature of all salts displays more than 110 degrees C, which is measured by differential scanning calorimetry (DSC). These compounds all shows low sensitivity (IS > 35 J, FS > 360 N) measured by standard BAM methods. Glycidyl azide polymer (GAP) based propellant formula with the addition of salt 6 or 7 shows a higher specific impulse (6, I-sp = 262.1 s; 7, I-sp = 263.9 s) than that of RDX (I-sp = 259.0 s). This study can provide a new crystal engineering way for the synthesis of pentazole salt to solve the problem of low density and poor stability.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Hu, W; Yang, HW; Chen, JY; Zhang, C; Sun, CG; Hu, BC; Cheng, GB or concate me.. Recommanded Product: 67-51-6

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

An article Oxidation of sulfides in aqueous media catalyzed by pyrazole-oxidoperoxido-molybdenum(VI) complexes WOS:000552643400003 published article about MOLYBDENUM(VI) COMPLEXES; MOLECULAR-STRUCTURE; METAL DERIVATIVES; OXYGEN-TRANSFER; SULFOXIDES; CHEMISTRY; PYRAZOLE; CRYSTAL; POLY(PYRAZOLYL)ALKANES; COORDINATION in [Bruno, Sofia M.; Amarante, Tatiana R.; Paz, Filipe A. Almeida; Pillinger, Martyn; Valente, Anabela A.; Goncalves, Isabel S.] Univ Aveiro, Dept Chem, CICECO Aveiro Inst Mat, Campus Univ Santiago, P-3810193 Aveiro, Portugal in 2020.0, Cited 39.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

The complex [MoO(O-2)(2)(pyrazole)(2)] (1) is an effective catalyst for the oxidation of organic sulfides (methyl-phenylsulfide and diphenylsulfide). Reactions can be run in water as the only medium, at low temperature (25 degrees C), with low catalyst loadings (0.2 mol%) and excellent H2O2 efficiency with no significant non-productive decomposition of the oxidant. Under conditions that favor sulfone formation, the overall process, including isolation of the precipitated product (by filtration or centrifugation) and recycling of the aqueous phase con-taining the catalyst, can be performed in the absence of organic or ionic liquid solvents. Catalytic results with the recycled aqueous phase were the same as those obtained in the first cycle. With water as the sole solvent, 1 is a superior catalyst to the 3,5-dimethylpyrazole complexes [MoO(O-2)(2)(dmpz)(2)] (2) and [Hdmpz](4)[Mo8O25.8(O-2)(0.2)(dmpz)(2)]center dot 4H(2)O (3). Crystal structures for 1 and 3 are presented.

Recommanded Product: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Bruno, SM; Amarante, TR; Paz, FAA; Pillinger, M; Valente, AA; Goncalves, IS or concate me.

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

An article Triazole based azo molecules as potential antibacterial agents: Synthesis, characterization, DFT, ADME and molecular docking studies WOS:000529345400014 published article about DISAZO DYES; SPECTROSCOPIC PROPERTIES; ABSORPTION; DESIGN; DRUG; 1,2,3-TRIAZOLE; APPROXIMATION; ANTIFUNGAL; MOIETIES; PYRAZOLE in [Gokalp, Merve; Dede, Bulent; Tilki, Tahir] Suleyman Demirel Univ, Fac Sci & Arts, Dept Chem, TR-32260 Isparta, Turkey; [Atay, Cigdem Karabacak] Mehmet Akif Ersoy Univ, Fac Educ, Dept Basic Educ, TR-15030 Burdur, Turkey in 2020.0, Cited 40.0. Computed Properties of C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

In this study, three triazole based azo molecules [3-amino-4-[1H-1,2,4-triazole-3-yldiazenyl]-1H-pyrazole-5-ol (1), 3-[(3,5-dimethyl-1H-pyrazole-4-yl)diazenyl]-1H-1,2,4-triazole (2) and 4-[1H-1,2,4triazole-3yldiazenyl]benzene-1,3-diol (3)] were, synthesized and characterized by using 1H NMR, FTIR, UV-vis and mass spectra. The molecular structure, vibrational spectroscopic data, electronic transition absorption wavelengths, HOMOs and LUMOs analyses, molecular electrostatic potential (MEP) and potential energy surface (PES) diagrams were calculated by using DFT/B3LYP method with 6-311G(d,p) basis set. NMR chemical shift calculations were performed by using the gauge-invariant atomic orbital (GIAO) method. The spectroscopic results obtained from quantum chemical calculations of the 1, 2 and 3 molecules were in good agreement with the experimental data. Antibacterial activities of the 1, 2 and 3 were investigated against four different bacterial cultures. Although 1 molecule did not show very good antibacterial activity, 2 and 3 showed good activity against Staphylococcus aureus at a MIC of 250 and 62.5 mg/mL, respectively. Druglikeness and some of the pharmacokinetic properties of the 1, 2 and 3 were also examined. In addition, molecular docking studies were performed to investigate the antibacterial properties of synthesized compounds by in silico method. For this purpose, beta-ketoacyl-acyl carrier protein (ACP) synthase III (KAS III) and lipoteichoic acid synthase (LtaS) inhibitory properties of 1, 2 and 3 molecules were investigated. Although all of the synthesized compounds showed antibacterial properties according to the results of the molecular docking studies, the best results were obtained by the compound 3 which interacts with both KAS III and LtaS with binding energy of -7.17 and -7.53 kcal/mol, respectively. (C) 2020 Elsevier B.V. All rights reserved.

Computed Properties of C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Gokalp, M; Dede, B; Tilki, T; Atay, CK or concate me.

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

Electric Literature of 28466-26-4, These common heterocyclic compound, 28466-26-4, name is 4-Aminopyrazole, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.

As shown in step 5-i of Scheme 5, methyl 4-bromo-2-(bromomethyl)benzoate (Compound 2018, 2.08 g, 6.75 mmol; prepared by reacting l-(4-bromo-2- methylphenyl)ethanone with NBS),lH-pyrazol-4-amine (561 mg, 6.75 mmol), and DIEA (873 mg, 1.18 mL, 6.75 mmol) were combined in DMF (7.78 mL) and heated at 110 C for 90 min. The reaction mixture was diluted with MeOH (60 mL) and the resulting white crystaline solid was collected by filtration and dried under vacuum to give 5-bromo-2-(lH- pyrazol-4-yl)isoindolin-l-one (Compound 2019, 1.21 g, 4.35 mmol, 64% yield): ESMS (Mu+Eta) 279.99

Statistics shows that 4-Aminopyrazole is playing an increasingly important role. we look forward to future research findings about 28466-26-4.

Reference:
Patent; VERTEX PHARMACEUTICALS INCORPORATED; ARONOV, Alex; COME, Jon, H.; DAVIES, Robert, J.; PIERCE, Albert, C.; WANG, Jian; NANTHAKUMAR, Suganthini; CAO, Jingrong; BANDARAGE, Upul, K.; KRUEGER, Elaine; TIRAN, Amaud, Le; LIAO, Yusheng; MESSERSMITH, David; COLLIER, Philip, N.; GREY, Ronald; O’DOWD, Hardwin; HENDERSON, James, A.; GRILLOT, Anne-Laure; WO2011/87776; (2011); A1;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Electric Literature of 69843-13-6, Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 69843-13-6, name is 1-Methyl-1H-pyrazol-4-amine, This compound has unique chemical properties. The synthetic route is as follows.

4- amine (52 g, 0.53 mol, prepared according to Procedure B) and cyanamide (29 g, 0.69 mol) in dioxane (50 mL) then the mixture was heated to 95C overnight. The reaction was cooled to room temperature and the solvent removed in vacuo. The residue was washed with ether (100 mL) to afford l-(l-methyl-lH-pyrazol-4-yl)guanidine hydrochloride (93 g , ~ 100%) as a yellow solid which was used in the next step without further purification.

The chemical industry reduces the impact on the environment during synthesis 1-Methyl-1H-pyrazol-4-amine. I believe this compound will play a more active role in future production and life.

Reference:
Patent; CELLZOME LIMITED; ELLARD, Katie; MAJOR, Jeremy; JONES, Alison; LYNCH, Rosemary; RAMSDEN, Nigel; WO2012/62704; (2012); A1;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Reference of 31108-57-3, The chemical industry reduces the impact on the environment during synthesis 31108-57-3, name is 1H-Pyrazole-4-carbonitrile, I believe this compound will play a more active role in future production and life.

To a solution of IV-B8 (44 mg, 0.11 mmol) in acetone (2 mL) was added lH-pyrazole-4- carbonitrile (16 mg, 0.17 mmol) and K2C03 (48 mg, 0.34 mmol). After stirring at 25C for 12 h, the mixture was diluted with water (5 mL) and extracted with EtOAc (2 x 10 mL). The combined organic solution was washed with brine (5 mL), dried over anhydrous Na2S04, filtered and concentrated. The residue was purified by flash column (0-43% of EtOAc in PE) to give IV-B9 (22 mg, 49%) as a solid. (3084) 1HNMR (400 MHz, CDCl3) dH 7.86 (s, 1H), 7.81 (s, 1H), 5.08-5.02 (m, 1H), 4.94-4.87 (m, 1H), 2.63 (t, j= 8.8 Hz, 1H), 2.26-2.16 (m, 1H), 2.06-1.99 (m, 1H), 1.82-1.70 (m, 6H), 1.46- 1.17 (m, 15H), 0.91-0.83 (m, 2H), 0.65 (s, 3H). LC-ELSD/MS purity 99%, MS ESI calcd. for C24H33N302 [M+H]+396.2, found 396.2

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 1H-Pyrazole-4-carbonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; SAGE THERAPEUTICS, INC.; ROBICHAUD, Albert, Jean; SALITURO, Francesco, G.; BLANCO-PILLADO, Maria, Jesus; LA, Daniel; HARRISON, Boyd, L.; (646 pag.)WO2019/126761; (2019); A1;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics