(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)ACETONITRILE synthesis
- Product Name:(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)ACETONITRILE
- CAS Number:86999-29-3
- Molecular formula:C10H8N4
- Molecular Weight:184.2
Yield:86999-29-3 81%
Reaction Conditions:
with sodium hydroxide in methanol at 0; for 2 h;Heating / reflux;
Steps:
53 5-Cyanomethyl-3-phenyl-1H-[1,2,4]triazole (I-53)
A 1.40 g (33.3 mmol) portion of sodium hydroxide was dissolved in methanol (60 ml) and ice-cooled. This was mixed with 5.70 g (33.2 mmol) of methyl benzimidate hydrochloride (I-52) and 3.39 g (34.2 mmol) of cyanoacetohydrazide and heated under reflux for 2 hours. The reaction solution was concentrated under a reduced pressure, and the thus obtained residue was mixed with brine and extracted with ethyl acetate. The organic layer was dried over magnesium sulfate, and the solvent was evaporated. The thus obtained residue was washed with ether, collected by filtration and dried to obtain 4.93 g (81%) of the title compound as a pale yellow solid. MS (FAB)m/z: 185 (M+1)+. 1H-NMR (DMSO-d6)δ: 4.22 (2H, s), 7.50 (3H, m), 7.97 (2H, m)
References:
EP1717238,2006,A1 Location in patent:Page/Page column 55
80532-88-3
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