Rationalising diastereoselection in the dynamic kinetic resolution of α-haloacyl imidazolidinones: A theoretical approach

A. Gil Santos, Sara X. Candeias, Carlos A. M. Afonso, Kerry Jenkins, Stephen Caddick, N. R. Treweeke, D. Pardoe

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

A new model for the rationalisation of previously reported DKR results is presented. The proposed model is based both on experimental and molecular modelling results which indicate that selectivity arises from the interaction between the leaving group and the stereodifferentiating substituent of the chiral auxiliary.

Original languageEnglish
Pages (from-to)6607-6614
Number of pages8
JournalTetrahedron
Volume57
Issue number30
DOIs
Publication statusPublished - 23 Jul 2001

Keywords

  • Ab initio
  • Dynamic kinetic resolutions (DKR)
  • Molecular modelling
  • Transition states

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