Pd-catalyzed intramolecular sequential Heck cyclization and oxidation reactions: a facile pathway for the synthesis of substituted cycloheptenone evaluated using computational studies

Abstract

A simple and convenient method for the construction of substituted cycloheptenones from 1-bromoocta-1,7-diene-3-ols has been developed. The reaction involves Pd(0)-catalyzed intramolecular 7-exo-trig cyclization followed by Pd(II)-catalyzed oxidation of cyclic alcohol. The course of the reaction pathway has been evaluated using DFT calculations.