Stereoselectivity of nitrile oxide cycloadditions to chiral allylic fluorides: experiment and theory

Chemistry. 2003 Nov 21;9(22):5664-72. doi: 10.1002/chem.200304967.

Abstract

The cycloadditions of nitrile oxides with new and previously studied allylic fluorides were examined. The 1,3-dipolar cycloaddition reactions were also investigated theoretically with density functional theory (B3LYP) based transition-state modelling. The predictions provided reasonable agreement with experiment, indicating that both steric and electronic effects have important influences on the stereoselectivities of these reactions.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Fluorides / chemistry*
  • Heterocyclic Compounds / chemistry
  • Models, Chemical*
  • Nitriles / chemistry*
  • Oxides / chemistry*
  • Stereoisomerism

Substances

  • Heterocyclic Compounds
  • Nitriles
  • Oxides
  • Fluorides