Synthetic Route of 10040-98-9, A common heterocyclic compound, 10040-98-9, name is 4-Imidazol-1-yl-benzaldehyde, molecular formula is C10H8N2O, 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.
A mixture of malonitrile (60.0 mg, 0.9 mmol) and 4-(1H-imidazol-1-yl)benzaldehyde (155.0 mg, 0.9 mmol) in anhydrous ethanol ( 4.0 mL) was charged with N-methylmorpholine (0.1 mL, 0.9 mmol) for 2 minutes. To the mixture was added 3-benzyl-1-methyl-1H-pyrazol- 5(4H)-one (170.0 mg, 0.9 mmol) in one portion at room temperature. The reaction mixture was stirred at room temperature for 48 hrs. The suspension was filtered under vacuum and off white solid was obtained. The solid was gently washed with hexanes (20 mL) and chilled ethanol (10 mL) and further dried under high vacuum to provide compound 21 as an off white solid (330 mg, 89%).1H NMR (400 MHz, DMSO-d6) delta (ppm): 8.20 (s, 1H), 7.69 (s, 1H), 7.51 (d, J = 8.0 Hz, 2H), 7.21 (d, J = 8.0 Hz, 2H), 7.15-7.08 (m, 6H), 6.86 (d, J = 7.2 Hz, 2H), 4.46 (s, 1H), 3.66 (s, 3H), 3.53 (d, J = 15.2 Hz, 1H), 3.28 (s, 1H). MS (ESI): Calcd for C24H20N6O: 408, found: 409 (M+H)+.
The synthetic route of 10040-98-9 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; NANTBIOSCIENCE, INC.; TAO, Chunlin; YU, Chengzhi; POLAT, Tulay; YAN, Chao; RABIZADEH, Shahrooz; THEODORESCU, Daniel; (108 pag.)WO2016/205460; (2016); A1;,
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