Computational study of factors controlling the boat and chair transition states of Ireland-Claisen rearrangements.

ABSTRACT: The origins of the boat transition state preference in the Ireland-Claisen rearrangements studied experimentally by Kishi and co-workers have been explored computationally with Density Functional Theory. Steric interactions in the chair transition states were identified as the principal reason for the boat transition state preference.

SUBMITTER: Gul S 

PROVIDER: S-EPMC2837782 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature