Synthetic Route of 31108-57-3, A common heterocyclic compound, 31108-57-3, name is 1H-Pyrazole-4-carbonitrile, molecular formula is C4H3N3, 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 mixture of ABl (100 mg, 0.235 mmol) and K2C03 (64.9 mg, 0.47 mmol) in acetone (5 mL) was added lH-pyrazole-4-carbonitrile (32.7 mg, 0.352 mmol) at 25C. The reaction mixture was stirred at the 25C for 16 h. Then saturated aqueous H20 (50 mL) was added .The mixture was extracted with EtOAc (3 x 50 mL). The combined organic solution was washed with brine (20 mL), dried over Na2S04 and concentrated in vacuum to give the crude product .The crude product was purified by flash column (0-30% of EtOAc in PE) to give Compound 66 (38 mg, 37%) as a solid. (0895) 1H NMR (400 MHz, CDC13) delta 7.86 (s, 1H), 7.81 (s, 1H), 5.00 (d, J = 16.0 Hz, 1H), 4.85 (d, J = 16.0 Hz, 1H), 2.71-2.68 (m, 1H), 2.18-2.09 (m, 1H), 1.98-1.96 (m, 1H), 1.65-1.53 (m, 2H), 1.52-1.50 (m, 5H), 1.37-1.14 (m, 14H), 0.97 (d, J= 8 Hz, 4H), 0.85-0.81 (m, 1H), 0.75 (s, 3H), 0.68 (s, 3H). (0896) LCMS Rt = 2.594 min in 4.0 min chromatography, 30-90AB_220&254.1cm, purity 100%, MS ESI calcd. for C27H38N3O [M+H-H20]+ 420, found 420.
The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.