title: Asymmetric Cooperative Catalysis in a Three-Component Reaction: Mechanism and Origin of Enantio- and Diastereoselectivities.
abstract: Mechanistic insights gained through density functional theory (DFT M06 and B3LYP) computations on a three-component cooperative asymmetric catalytic reaction between a diazo ester, a carbamate, and an imine, catalyzed by dirhodium acetate and chiral phosphoric acid (Brønsted acid), are presented. The addition of the dirhodium-bound enol to the imine yielding an α,β-diamino ester is energetically more preferred over a potentially competitive protonation of the same enol leading to an α-amino ester.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay , Powai, Mumbai 400076, India.
authors.forename: Hemanta K
authors.initials: HK
authors.lastname: Kisan
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay , Powai, Mumbai 400076, India.
authors.forename: Raghavan B
authors.initials: RB
authors.lastname: Sunoj