Day: June 29, 2021

Related Products of 7170-01-6, New Advances in Chemical Research in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 7170-01-6, name is 3-Methyl-1H-1,2,4-triazole, molecular formula is C3H5N3, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

A solution of 2,4-difluorobenzonitrile (7.07 g, 50.8 mmol) and 3-methyl-1H-1,2,4-triazole (4.22 g, 50.8 mmol) in N,N-dimethylformamide (45 ml) was treated with powdered anhydrous potassium carbonate (10 g) and the resulting mixture stirred at 22 C. for 18 h. The solid was then filtered and the filtrate concentrated in vacuo. The residue was diluted with ethyl acetate, washed with water and brine, then dried over anhydrous magnesium sulfate and concentrated. The resulting mixture was purified by a combination of chromatography on silica gel (elution gradient of ethyl acetate in hexane) and reversed phase silica gel to yield intermediates 45-48. 4Fluoro-2-(3-methyl-1H-1,2,4-triazol-1-yl)benzonitrile. White crystals (ethyl acetate-hexane); mp 117-118 C. 1HNMR 400 MHz (CDCl3) delta ppm: 2.54 (3H, s, CH3), 7.24 (1H, m, CH), 7.62 (1H, dd, J=2.5 Hz and J=9.1 Hz, CH), 7.84 (1H, dd, J=5.6 Hz and J=8.6 Hz, CH), 8.82 (1H, s, CH). Anal. Calcd for C10H7FN4: C 59.40, H 3.49, N 27.71; Found: C 59.25, H 3.32, N 27.81. 4-Fluoro-2-(5-methyl-1H-1,2,4-triazol-1-yl)benzonitrile. White crystals (ethyl acetate-hexane); mp 120-121 C. 1HNMR400 MHz (CDCl3) delta ppm: 2.56 (3H, s, CH3), 7.30 (1H, dd, J=2.5 Hz and J=8.1 Hz, CH), 7.39 (1H, m, CH), 7.91 (1H, dd, J=5.5 Hz and J=8.6 Hz, CH), 8.06 (1H, s, CH). Anal. Calcd for C10H7FN4: C 59.40, H 3.49, N 27.71; Found: C 59.35, H 3.70, N 27.77. 2-Fluoro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzonitrile. White crystals (ethyl acetate-hexane); mp 133-134 C. 1HNMR 400 MHz (CDCl3) delta ppm: 2.52 (3H, s, CH3), 7.61 (1H, dd, J=2 Hz and J=9.1 Hz, CH), 7.67 (1H, dd, J=2 Hz and J=9.6 Hz, CH), 7.79 (1H, dd, J=6.5 Hz and J=8.6 Hz, CH), 8.56 (1H, s, CH). Anal. Calcd for C10H7FN4: C 59.40, H 3.49, N 27.71; Found: C 59.42, H 3.24, N 28.41. 2-Fluoro-4-(5-methyl-1H-1,2,4-triazol-1-yl)benzonitrile. White crystals (ethyl acetate-hexane); mp 89-90 C., 1HNMR 400 MHz (CDCl3) delta ppm: 2.69 (3H, s, CH3), 7.49-7.55 (2H, m, 2 x CH), 7.83 (1H, dd, J=6.8 Hz and J=8.8 Hz, CH), 8.00 (1H, s, CH). Anal. Calcd for C10H7FN4: C 59.40, H 3.49, N 27.71; Found: C 59.17, H 3.22, N 28.01.

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Reference:
Patent; Bristol-Myers Squibb Company; US2007/111984; (2007); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthetic Route of 7411-23-6, New Advances in Chemical Research in 2021.In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 7411-23-6, name is 3,5-Dibromo-1H-1,2,4-triazole, molecular formula is C2HBr2N3, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

Sodium hydride (34 mg, 0.86 mmol) was slowly added to a solution of 3,5-dibromo-1H-1,2,4-triazole (150 mg, 0.66 mmol) and DMF (3.9 mL) at RT and the solution was stirred at 45C for 30 min. tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate (0.15 mL, 0.79 mmol) was then added portion-wise. The reaction mixture was stirred at 85 C for 2 days. The reaction was quenched with NH4Cl (aq. sat.) and extracted with DCM. The combined organic fractions were dried via a phase separator and reduced in vacuo. The crude residue was dissolved in DCM, reduced in vacuo onto silica and purified by silica flash chromatography eluting with 10-90% EtOAc in Pet. Ether to yield tert-butyl 4-(3,5-dibromo-1,2,4-triazol-1-yl)piperidine-1-carboxylate (140 mg, 0.34 mmol, 52% yield) as a pale yellow oil. UPLC-MS (ES+, Method A): 1.82 min, m/z 411.0 [M+H]+.

In the meantime we’ve collected together some recent articles in this area about 7411-23-6 to whet your appetite. Happy reading!

Reference:
Patent; REDX PHARMA PLC; JONES, Clifford, D.; BUNYARD, Peter; PITT, Gary; BYRNE, Liam; PESNOT, Thomas; GUISOT, Nicolas, E.S.; (318 pag.)WO2019/145729; (2019); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 930-33-6, New Advances in Chemical Research in 2021. The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 930-33-6, name is 1H-1,2,4-Triazol-3(2H)-one, molecular formula is C2H3N3O, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

10118] 509 g (28.28 mol) of water are added with stirring to the solution of OTA obtained (in 98% sulfuric acid), followed by 213 g (3.38 mol) of concentrated nitric acid (98% by weight commercial nitric acid).10119] After introduction of the nitric acid, the medium is brought to 65 C. and left stirring at this temperature for 2 hours.10120] Samples are withdrawn in order to monitor the progression of the nitration (once the temperature of the reaction medium has reached 65 C.). Said samples are analyzed after external calibration (using a commercial ONTA). The results are shown in FIG. 4. It is seen that a very high yield can be obtained.10121] The following procedure was carried out for the recovery of the ONTA prepared.10122] The reaction medium is cooled to 10 C. (at expiration of the 2 hours). An amount of 293 g (16.28 mol) of water is then added while maintaining the temperature at 10C. The crystallized ONTA is then filtered off and then pulled dry on a Buechner filter.10123] The weight of wet ONTA recovered is 403 g.10124] The HPLC analysis (of the ONTA recovered) makes it possible to establish, afier external calibration (with commercial ONTA), a yield of 96% ofwet product (Ito the starting ATA).10125] The nature ofthe product obtained (ONTA) was also confirmed by ?3C NMR.j0126] ?3C NMR (DMSO, 100 MHz): 8 158.22 ppm (s), 13924 ppm (s).

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Reference:
Patent; HERAKLES; EURENCO; HERVE, Gregoire; JACOB, Guy; CAGNON, Guy; BOUCHEZ, Jean-Marc; (9 pag.)US2016/46588; (2016); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Research speed reading in 2021. We’ll be discussing some of the latest developments in chemical about CAS: 288-36-8, name is 1H-1,2,3-Triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Safety of 1H-1,2,3-Triazole

To 2H-I,2,3-triazoe (2.0 g, 29 rnmo) n DMF (145 mL) was added NaH (116 g, 29 mmo, 60/b n mnera o) at RT and the mixture was sfirred for lh. After coohng to 0C, 2-choro-I-fluoro-4-ntrobenzene (4.6 g, 26.1 rnmo) was added and the reacUon mixture was stirred at 0C for l.5h, then at RT for I.5h. The mixture was quenched with water and extracted with AcOEt, The organic phase was washed with water and brine, dried over Na2SO4, fitered and concentrated. The crude product was purified by sihca g& co?umn (heptane/AcOEt: 90/10 to 50/50) to afford 2-(2-choro-4-nitropheny)-2 H-. 1,2,3- triazoe. M/z = 225-227 [M+H]+, Rt = 095 mm (UPLC Method 83).

In conclusion, we affirm that quantitative kinetic descriptions of catalytic behavior continue to serve as an indispensable tool to navigate research efforts intended to model. Read on for other articles about 288-36-8.

Reference:
Patent; NOVARTIS AG; PISSOT SOLDERMANN, Carole; QUANCARD, Jean; SCHLAPBACH, Achim; SIMIC, Oliver; TINTELNOT-BLOMLEY, Marina; ZOLLER, Thomas; (161 pag.)WO2015/181747; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 16681-70-2, New Advances in Chemical Research in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis. 16681-70-2, name is 1H-[1,2,3]Triazole-4-carboxylic acid, molecular formula is C3H3N3O2, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

1H-1,2,3-triazole-4-carboxylic acid (3.3 mg, 29 imol) and HATU (10.5 mg, 28 .imol) were dissolved in DMF (2.0 mL) and stirred for 15 minutes at room temperature. 2- [(R)-2-Amino-3 -(5?-chloro-2?-fluorobiphenyl-4-yl)propyl] -2-methylmalonic acid (12.0 mg, 32 .imol) and DIPEA (9.2 .iL, 53 .imol) were added, and the resulting mixture was stirred for 15 minutes at room temperature, at which time LCMS indicated the mass of the desiredcompound. The mixture was concentrated in vacuo and the residue was purified by preparative HPLC to yield the title compound (5 mg) as a TFA salt. MS m/z [M+H] calc?d for C22H20C1FN405, 475.11; found 475.

Therefore, this conceptually novel strategy might open impressive avenues to establish green and sustainable chemistry platforms.In my other articles, you can also check out more blogs about 1H-[1,2,3]Triazole-4-carboxylic acid.

Reference:
Patent; THERAVANCE BIOPHARMA R&D IP, LLC; FLEURY, Melissa; BEAUSOLIEL, Anne-Marie; HUGHES, Adam D.; LONG, Daniel D.; WILTON, Donna A.A.; WO2015/116760; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Electric Literature of 288-36-8, New Advances in Chemical Research in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis. 288-36-8, name is 1H-1,2,3-Triazole, molecular formula is C2H3N3, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

2H-1,2,3-Triazole (760 mg, 11 mmol) was added to a suspension of 2,3-dichloro-5-nitro-pyridine (965 mg, 5 mmol) and anhydrous potassium carbonate (1.03 g, 7.5 mmol) in THF (50 mL), and the mixture was stirred overnight at room temperature. The mixture was diluted with EtOAc (100 mL), washed with water and brine, and the organic phase was dried over anhydrous sodium sulfate, filtered and concentrated. The residue was purified by silica chromatography (hexane: EtOAc = 5:1 to 1:1) to give the title compound (505 mg, 44%). ?H NMR (400 MHz, DMSO-d6): 9.39 (d, 1H), 9.15 (d, 1H), 8.34 (s, 2H).

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Reference:
Patent; CORNELL UNIVERSITY; CHILDREN’S MEDICAL CENTER CORPORATION; DANA-FARBER CANCER INSTITUTE, INC; GRAY, Nathanael, S.; SCOTT, David, A.; HATCHER, John; DU, Guangyan; MELNICK, Ari, M.; GABAS, Lorena, Fontan; CASALENA, Gabriella; US, Ilkay; WU, Hao; QIAO, Qi; (178 pag.)WO2018/165385; (2018); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

New discoveries in chemical research and development in 2021. The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 41253-21-8, name is Sodium 1,2,4-triazol-1-ide belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. 41253-21-8

5-(2-Bromo-5-fluoro-phenyl)-1-methyl-2H-tetrazole. A mixture of 5-(2-bromo-5-fluoro-phenyl)-1H-tetrazole (1.0 g, 4.12 mmol), iodomethane (1.12 g, 10 mmol) and potassium carbonate (1.5 g) in dimethylformamide (5 mL) was stirred at room temperature for 16 hrs, then concentrated in vacuo. The residue was purified by column chromatography (SiO2, CH2Cl2) to provide 350 mg (Yield 33%) of the title compound as white crystals. 1H NMR (500 MHz, CDCl3) delta ppm: 4.00 (3H, s) 7.18-7.25 (2H, m) 7.72 (1H, dd, J=8.4, 5.0 Hz); 13C NMR (126 MHz, CDCl3) delta ppm: 34.59, 117.73, 119.58, 120.43, 127.57, 135.11, 153.43, 161.69. LC/MS m/z 257/259.

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Reference:
Patent; Bristol-Myers Squibb Company; US2007/129379; (2007); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Related Products of 4922-98-9, New Advances in Chemical Research in 2021.In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 4922-98-9, name is 5-Phenyl-1H-1,2,4-triazol-3-amine, molecular formula is C8H8N4, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, below Introduce a new synthetic route.

General procedure: A solution of aminotriazole 11a?m (3.1mmol), glacial acetic acid (5mL), and diethyl ethoxymethylenemalonate (4.6mmol) was refluxed for 3h. After cooling to room temperature, the resulting precipitate was collected by filtration, washed with cold water and dried. The residue was stirred with cold ethyl ether (20mL) and filtered to afford the desired product. Following general procedure C, compound 12c was isolated as a white solid. Yield 67percent, mp>300°C. 1H NMR (200MHz, DMSO-d6) delta: 14.00 (br s, 1H); 8.64 (s, 1H); 8.14?8.10 (m, 2H); 7.55 (m, 3H); 4.26 (q, J=7.0Hz, 2H); 1.28 (t, J=6.8Hz, 3H)

Future efforts will undeniably focus on the diversification of the new catalytic transformations. These may comprise an expansion of the substrate scope from aromatic and heteroaromatic compounds to other hydrocarbons. Keep reading other articles of 4922-98-9.

Reference:
Article; Aghazadeh Tabrizi, Mojgan; Baraldi, Pier Giovanni; Ruggiero, Emanuela; Saponaro, Giulia; Baraldi, Stefania; Poli, Giulio; Tuccinardi, Tiziano; Ravani, Annalisa; Vincenzi, Fabrizio; Borea, Pier Andrea; Varani, Katia; European Journal of Medicinal Chemistry; vol. 113; (2016); p. 11 – 27;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Reference of 288-36-8, New discoveries in chemical research and development in 2021. We’ll be discussing some of the latest developments in chemical about CAS: 288-36-8, name is 1H-1,2,3-Triazole, 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.

Combine 1,2,3-triazole (3.45g, 50mmol), 2-iodo-5-methylbenzoic acid (5.24g, 20mmol), cesium carbonate (11.72g, 36mmol), trans-N, N ‘ -Dimethyl-1,2-cyclohexanediamine (0.51g, 3.6mmol), cuprous iodide (0.38g, 2mmol), N, N-dimethylformamide (30mL) were added to 100mL single-port round In a bottom flask, the temperature was gradually raised to 100 C under nitrogen protection for 4 hours. The reaction was stopped, cooled, diluted with tap water and extracted with ethyl acetate (200 mL × 2).The aqueous layer was acidified with concentrated hydrochloric acid (pH = 1-2) and extracted with ethyl acetate (200 mL × 2). The organic layers were combined, dried over anhydrous sodium sulfate, filtered, and the filtrate was evaporated to dryness under reduced pressure and purified by column chromatography ( Dichloromethane / methanol (v / v) = 50/1) gave the title compound (yellow solid, 2.76 g, 68%).

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Reference:
Patent; GUANGDONG HEC PHARMACEUTICAL; Guangdong Dongyangguang Pharmaceutical Co., Ltd.; JIN CHUANFEI; Jin Chuanfei; LAO JINHUA; Lao Jinhua; ZHANG YINGJUN; Zhang Yingjun; (35 pag.)CN108299437; (2018); A;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Reference of 16681-70-2, New discoveries in chemical research and development in 2021. We’ll be discussing some of the latest developments in chemical about CAS: 16681-70-2, name is 1H-[1,2,3]Triazole-4-carboxylic acid, 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.

[0850] 3H-1,2,3-triazole-4-carboxylic acid (3.4 mg, 30f.tmol) was combined with HATU (11 mg, 30 f.tmol) in DMF(0.3 mL) and stirred at room temperature for 10 minutes;DIPEA (1 eq.) was added and the mixture was stirred for 1minute. Compound2 (lOmg, 30 f.tmol) inDMF (0.5 mL)wascombined with DIPEA (5.2 f.LL, 30 f.tmol), then added to theactivated acid solution. The resulting solution was stirred atroom temperature for 30 minutes; LC/MS showed the mass ofthe desired product. The solvent was removed in vacuo andthe crude residue was purified by reverse phase chromatographyto yield Compound a (6.1 mg) as a TFA salt. MS rn/z[M+Ht calc’d for C27H31CIFN50 4 , 544.21; found 545.2.

By the way, if you are interested in learning more fun chemistry with your kids, get your hands into one chemistry set now, and start enjoying the best part of chemistry: experiments about 1H-[1,2,3]Triazole-4-carboxylic acid.

Reference:
Patent; THERAVANCE BIOPHARMA R&D IP, LLC; Fleury, Melissa; Beausoliel, Anne-Marie; Hughes, Adam D.; Long, Daniel D.; Wilton, Donna A.A.; US2015/210690; (2015); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics