939-79-7, These common heterocyclic compound, 939-79-7, name is 4-Methyl-3-nitrobenzonitrile, 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.
Synthesis of 3-(4-Methyl-3-nitro-phenyl)-4H-[1,2,4]triazole Hydrogen chloride was bubbled through a solution of 3-nitro-p-tolunitrile (0.49 g, 3 mmol) in 40 mL of ethanol at room temp for 10 min. The solution was continued stirring at room temp for 60 min and the solvent was then evaporated under vacuum to dryness to give a white solid. The intermediate so obtained was dissolved in 20 mL of ethanol, neutralized with sodium ethoxide solution and the resulting precipitate was removed by filtration. To the filtrate was added at room temp formic hydrazide (0.2 g, 3 mmol) and the solution was continued stirring at room temp for 2 h. After removal of volatiles in vacuo, the residue was dissolved in 30 mL of m-xylene and refluxed at 150 C. for 16 h. Removal of volatiles in vacuo and purification using flash chromatography afforded 0.26 g of the final productproduct. (Yield: 43%). MS (m/z) calcd for C9H8N4O2 (MH+) 205.2, found, 205.1.
Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 939-79-7.
Reference:
Patent; Bristol-Myers Squibb Company; Pharmaceopeia, Inc.; US6906067; (2005); B2;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts