Room-Temperature Synthesis of 1,3,5-Tri( het )aryl Benzene from Nitroalkenes Using Pd(OAc) 2 : Complete Mechanistic and Theoretical Studies.

Herein, a room-temperature catalytic pathway for 1,3,5-tri( het )aryl derivatives from nitroalkenes using simple Pd(OAc) 2 is presented. This newly developed C-C bond-forming methodology takes place in a cascade manner with the initial pallado-Morita-Baylis-Hillman (MBH) type adduct. The broad substrate scopes, functional group tolerance, and different aryl-substituted benzene derivatives make this methodology more attractive. Furthermore, the mechanistic understanding through isolation of intermediates and DFT studies of the catalytic cycle provide requisite insight into the methodology.