Oxygen donor-mediated equilibration of diastereomeric alkene-palladium(II) intermediates in enantioselective desymmetrizing Heck cyclizations

J Am Chem Soc. 2007 Nov 7;129(44):13455-63. doi: 10.1021/ja072571y. Epub 2007 Oct 13.

Abstract

This investigation examines the origin of enantioselection in the desymmetrization of an acyclic prochiral Heck cyclization precursor. High asymmetric induction (97-98% ee) is attributed to a temporary interaction of a Lewis basic oxygen donor with weakly Lewis acidic palladium(II). A series of control experiments combined with quantum-chemical model calculations provided sound evidence for a mechanism involving oxygen donor-mediated, rapid equilibration of diastereomeric alkene-palladium(II) complexes prior to the selectivity-determining ring-closing event, a Curtin-Hammett scenario. Our study also highlights the importance of the cationic pathway (triflate counter anions versus halido ligand) and alkene stereochemistry (E versus Z) in asymmetric Heck reactions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkenes / chemical synthesis*
  • Alkenes / chemistry*
  • Cyclization
  • Models, Chemical
  • Molecular Structure
  • Oxygen / chemistry*
  • Palladium / chemistry*
  • Quantum Theory
  • Stereoisomerism

Substances

  • Alkenes
  • Palladium
  • Oxygen