Application of 16617-46-2, A common heterocyclic compound, 16617-46-2, name is 3-Amino-1H-pyrazole-4-carbonitrile, molecular formula is C4H4N4, 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 5-amino-lH-pyrazole-4-carbonitrile (500 mg, 4.63 mmol) in n- BuOH (1 mL) was added ethyl 3-(l -methyl- lH-indazol-5-yl)-3-oxopropanoate (1.7 g, 6.90 mmol), p-TsOH (40 mg, 0.23 mmol) with stirring for 1 h at 130¡ãC. The product was collected by filtration and washed with methanol (3 x 5 ml) to afford 5- (l-methyl-lH-indazol-5-yl)-7-oxo-4H,7H-pyrazolo[l,5-a]pyrimidine-3-carbonitrile as a light yellow solid (1 g, 74percent). LCMS (ES, m/z): [M+H]+ 291.0; *H NMR (300 MHz, DMSO) delta 8.40 (s, 1H), 8.25 (s, 1H), 8.20 (s, 1H), 8.01 (d, / = 9.00 Hz, 1H), 7.76 (d, / = 9.00 Hz, 1H), 6.28 (s, 1H), 4.12 (s, 3H)
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.