Electric Literature of 7170-01-6, A common heterocyclic compound, 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, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.
To a solution of 2-chloro-4-fluorobenzaldehyde (95 mmol, 15 g) and 3-methyl-lH-l,2,4-triazole (114 mmol, 9.4 g) in CH3CN (300 mL) was added K2C03 (142 mmol, 20 g) and stirred at 60 C. After 24 h, the reaction mixture was added water and extracted with EtOAc. The organic extracts washed with saturated aq. NaCl, dried over Na2S04, filtered and concentrated in vacuo. The crude was purified by column chromatography (heptane: EtOAc = 20:80-10:90) to give the title compound. MS (ESI) m/z = 222, 224 (M+H) 1H NMR (300 MHz, CDC13) delta (ppm): 10.45 (1H, s), 8.55 (1H, s), 8.06 (1H, d, J= 8.6 Hz), 7.87 (1H, d, J= 2.1 Hz), 7.68 (1H, dd, J= 8.6, 2.1 Hz), 2.51 (3H, s).
The synthetic route of 7170-01-6 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; MERCK SHARP & DOHME CORP.; MOCHIDA PHARMACEUTICAL CO., LTD.; SAKURADA, Isao; HIRABAYASHI, Tomokazu; MAEDA, Yoshitaka; NAGASUE, Hiroshi; MIZUNO, Takashi; XU, Jiayi; ZHANG, Ting; SMITH, Cameron; PARKER, Dann; WO2015/160634; (2015); A1;,
1,2,3-Triazole – Wikipedia,
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