Enhancing 2-iodoxybenzoic acid reactivity by exploiting a hypervalent twist

J Am Chem Soc. 2005 Oct 19;127(41):14146-7. doi: 10.1021/ja054446x.

Abstract

A rearrangement of hypervalent bonds, or twisting, proves to be the rate-determining step in the 2-iodoxybenzoic acid (IBX) oxidation of alcohols. From this insight, derived from density functional theory calculations, we explain why IBX oxidizes large alcohols faster than small ones and propose a modification to the reagent predicted to make it more active.

Publication types

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

MeSH terms

  • Energy Transfer
  • Hydrogen Bonding
  • Iodobenzenes
  • Iodobenzoates / chemistry*
  • Methanol / chemistry
  • Models, Chemical
  • Molecular Structure
  • Oxidation-Reduction
  • Water / chemistry

Substances

  • Iodobenzenes
  • Iodobenzoates
  • Water
  • o-iodoxybenzoic acid
  • Methanol