Using experimental and computational approaches to probe an unusual carbon-carbon bond cleavage observed in the synthesis of benzimidazole: N -oxides

Abstract

Experimental and computational studies have been performed in order to investigate an unusual carbon-carbon bond cleavage that occurs in the preparation of certain benzimidazole N-oxides from anilines. The key factor determining the outcome of the reaction was found to be the substituents on the amine functionality of the aniline.