Copper-Catalyzed Asymmetric Arylation of N-Heteroaryl Aldimines: Elementary Step of a 1,4-Insertion.

Chunlin Wu Xurong QinAdhitya Mangala Putra MoeljadiHajime Hirao Jianrong Steve Zhou

Published in: Angewandte Chemie (International ed. in English) (2019)

Copper complexes of monodentate phosphoramidites efficiently promote asymmetric arylation of N-azaaryl aldimines with arylboroxines. DFT calculations and experiments support an elementary step of 1,4-insertion in the reaction pathway, a step in which an aryl-copper species adds directly across four atoms of C=N-C=N in the N-azaaryl aldimines.

Keyphrases

density functional theory
molecular dynamics
molecular dynamics simulations
oxide nanoparticles
molecular docking
crystal structure
transition metal