Electric Literature of 13531-48-1,Some common heterocyclic compound, 13531-48-1, name is Methyl 3-cyanobenzoate, molecular formula is C9H7NO2, 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 3-Cyanobenzoic acid methyl ester (50g, 310 mmol) in ethanol(500 mL) was added 50% aqueous hydroxylamine (41 mL, 620 mmol) at room temperature. The reaction mixture was stirred for 1 h at 100 0C and the solvents were removed under reduced pressure. The oily residue was dissolved in 20/80 ethanol/toluene (50 mL x 2) and then concentrated again. The desired ester (6 Ig, quan. yield) was obtained as a white powder with 98% purity (LC/UV). 1H-NMR (CDCl3) delta 9.76 (IH), 8.24 (IH), 7.82 (2H), 7.51 (IH), 5.92 (2H), 3.82 (3H).
The synthetic route of 13531-48-1 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; PTC THERAPEUTICS, INC.; WO2006/110483; (2006); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts