A Computational Investigation of the Ligand-Controlled Cu-Catalyzed Site-Selective Propargylation and Allenylation of Carbonyl Compounds.

ABSTRACT: A copper-catalyzed site-selective propargylation/allenylation reaction toward carbonyl compounds has been mechanistically investigated using a computational approach. Different reaction pathways and catalytic cycles were investigated. Control of the site selectivity arises from a destabilizing interaction introduced by the phenyl-substituted ligand.

SUBMITTER: Zou Y 

PROVIDER: S-EPMC5718194 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature