Between Substituted The Study Of The Nitration Of Toluene Is Selective

For the purpose of developing new synthetic routes of -methy-4-nitrobenzoic acid, an intermediate for the manufacturing of Temisartan, the nitration selectivity of m-toluic acid and m-tolunitrile was studied. m-Toluic acid methyl ester was prepared from m-toluic acid and methanol and nitrated with mixtures of nitric acid and sulfuric acid. The composition and components of the nitration products were determined with NMR and HPLC. The nitration of m-tolunitrile was carried in aqueous nitric acid. From the nitration products of m-tolunitrile, a crystal was isolated and identified by IR and 1HNMR to be 3-methyl-4-nitro-benzonitrile. The content of 3-methyl-4-nitro-benzonitrile in the crude nitration product of m-tolunitrile was determined by GC. The experimental results were discussed according to classical organic reaction theory and quantum calculation.