A computational study on cobalt-catalyzed allylic substitution of racemic allylic carbonates with amines: inner-sphere C–N reductive elimination and origins of regio- and enantioselectivities
Zhen Shen, Hongli Wu, Jinjin Yang, Deping Kong, Jiaao Ge, Genping Huang
Abstract
DFT calculations reveal an inner-sphere C–N reductive elimination pathway for the cobalt/bisoxazolinephosphine-catalyzed allylic substitution of racemic allylic carbonates with amines.
Topics & Concepts
Allylic rearrangementChemistryCobaltCatalysisSubstitution (logic)Substitution reactionMedicinal chemistryStereochemistryOrganic chemistryComputer scienceProgramming languageAsymmetric Hydrogenation and CatalysisCatalytic C–H Functionalization MethodsChemical Synthesis and Analysis