Mechanistic and preparative studies of radical chain homolytic substitution reactions of N-heterocyclic carbene boranes and disulfides

J Am Chem Soc. 2013 Jul 17;135(28):10484-91. doi: 10.1021/ja403627k. Epub 2013 Jul 3.

Abstract

Reactions of 1,3-dimethylimidazol-2-ylidene-borane (diMe-Imd-BH3) and related NHC-boranes with diaryl and diheteroaryl disulfides provide diverse NHC-boryl monosulfides (diMe-Imd-BH2SAr) and NHC-boryl disulfides (diMe-Imd-BH(SAr)2). Heating in the dark with 1 equiv of disulfide favors monosulfide formation, while irradiation with 2 equiv disulfide favors disulfide formation. With heteroaryl disulfides, the NHC-borane in the primary NHC-boryl sulfide product migrates from sulfur to nitrogen to give new products with a thioamide substructure. Most substitution reactions are thought to proceed through radical chains in which homolytic substitution of a disulfide by an NHC-boryl radical is a key step. However, with electrophilic disulfides under dark conditions, a competing ionic path may also be possible.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Boranes / chemistry*
  • Disulfides / chemistry*
  • Free Radicals / chemical synthesis
  • Free Radicals / chemistry
  • Heterocyclic Compounds / chemical synthesis
  • Heterocyclic Compounds / chemistry*
  • Methane / analogs & derivatives*
  • Methane / chemical synthesis
  • Methane / chemistry
  • Molecular Structure

Substances

  • Boranes
  • Disulfides
  • Free Radicals
  • Heterocyclic Compounds
  • carbene
  • Methane