Lewis acid catalysis and ligand exchange in the asymmetric binaphthol-catalyzed propargylation of ketones

J Org Chem. 2013 Sep 6;78(17):8796-801. doi: 10.1021/jo401611q. Epub 2013 Aug 26.

Abstract

1,1'-Bi-2-naphthol (BINOL)-derived catalysts catalyze the asymmetric propargylation of ketones. Density functional theory (DFT) calculations show that the reaction proceeds via a closed six-membered transition structure (TS) in which the chiral catalyst undergoes an exchange process with the original cyclic boronate ligand. This leads to a Lewis acid type activation mode, not a Brønsted acid process, which accurately predicts the stereochemical outcome observed experimentally.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkynes / chemical synthesis*
  • Alkynes / chemistry
  • Catalysis
  • Ketones / chemistry*
  • Lewis Acids / chemistry*
  • Ligands
  • Models, Molecular
  • Molecular Structure
  • Naphthols / chemistry*
  • Propanols / chemical synthesis*
  • Propanols / chemistry

Substances

  • Alkynes
  • Ketones
  • Lewis Acids
  • Ligands
  • Naphthols
  • Propanols
  • propargyl alcohol