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. 7170-01-6, name is 3-Methyl-1H-1,2,4-triazole belongs to triazoles compound, it is a common compound, a new synthetic route is introduced below. Computed Properties of C3H5N3
To a mixture of l-fluoro-2-nitrobenzene (1 mL, 12.8 mmol, 1.0 equiv.) and 3-methyl- lH-l,2,4-triazole (1.27 g, 15.3 mmol, 1.2 equiv.) in acetonitrile (20 mL) was added potassium carbonate (5.29 g, 38.3 mmol, 3.0 equiv.) and the mixture was stirred at 60C for 12 hours. The mixture was cooled to 20C, diluted with ethyl acetate (20 mL) and filtered. The filtrate was concentrated under reduced pressure to give a residue which was purified by silica gel chromatography (petroleum ether: ethyl acetate 2: 1 to 1 : 1) to give the desired product as a light yellow solid (1.20 g, 46%); 1H NMR (DMSO-d6, 400 MHz) delta 8.96 (s, 1H), 8.12 (d, 71H), 7.90 – 7.88 (m, 1H), 7.86 – 7.84 (m, 1H), 7.60 (t, 7 = 8.0 Hz, 1H), 2.31 (s, 3H).
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Reference:
Patent; SHIRE HUMAN GENETIC THERAPIES, INC.; MILLER, Thomas; PAPAIOANNOU, Nikolaos; (243 pag.)WO2018/144620; (2018); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics