New discoveries in chemical research and development 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. 138624-97-2, name is 1-Benzyl-1H-1,2,4-triazole-3-carboxylic acid belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Recommanded Product: 1-Benzyl-1H-1,2,4-triazole-3-carboxylic acid
To a screw cap vial 6-amino-4-methyl-2-(trifluoromethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,3]diazepin-5(6H)-one (74mg, 0.298 mmol), l-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate (158 mg, 0.417 mmol), 1-benzyl-1H-1,2,4-triazole-3-carboxylic acid (76mg, 0.358 mmol) was added and dissolved in N,N-dimethylformamide (5 mL). To the reaction mixture was added trimethyl amine (0.166 mL, 1.19 mmol), the vial was capped and stirred at RT for 16 h. The mixture was concentrated to dryness in vacuo and the residue was purified by RP-HPLC affording 1-benzyl-N-(4-methyl-5-oxo-2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-6-yl)-1H-1,2,4-triazole-3-carboxamide (77mg, 59% yield): 1H NMR (400 MHz, DMSO-d6) delta 8.82 (s, 1H), 8.63 (d, J = 7.6 Hz, 1H), 7.49 – 7.19 (m, 5H), 6.93 (s, 1H), 5.49 (s, 2H), 4.51 – 4.42 (m, 1H), 4.39 – 4.27 (m, 2H), 3.27 (s, 3H), 2.72 – 2.59 (m, 1H), 2.48 – 2.42 (m, 1H). LC-MS RT = 4.34 min, m/z = 434.1 (M+H) +. LCMS (2 to 98% acetonitrile in water + 0.1% formic acid over 10 mins) retention time 4.34 min, ESI+ found [M+H] = 434.1.
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Reference:
Patent; GENENTECH, INC.; F. HOFFMANN-LA ROCHE AG; PATEL, Snahel; HAMILTON, Gregory; STIVALA, Craig; CHEN, Huifen; ZHAO, Guiling; (1236 pag.)WO2017/4500; (2017); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics