Mechanistic insights on the stereoselective nucleophilic 1,2-addition to sulfinyl imines

J Org Chem. 2014 Mar 21;79(6):2514-21. doi: 10.1021/jo402802j. Epub 2014 Mar 11.

Abstract

The asymmetric nucleophilic 1,2-addition of (S)-N-benzylidene-2-methylpropane-2-sulfinamide with methylmagnesium bromide and methyllithium has been investigated using DFT(B3LYP) computations. The calculated ratio of the two diastereomers agrees with experimental observations, and the factors that determine the diastereomeric ratio are discussed. The preference for the E isomer and the rapid equilibrium between the E and Z isomers of N-tert-butanesulfinyl imine are two key features for understanding the mechanism of this reaction. Methylmagnesium bromide and methyllithium have bifunctional roles, acting as both Lewis acid and nucleophile, and the Lewis acid character plays a determining role in the stereoselectivity of the reaction.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Benzylidene Compounds / chemical synthesis*
  • Benzylidene Compounds / chemistry
  • Bromides / chemistry
  • Imines / chemistry*
  • Lewis Acids / chemistry*
  • Magnesium Compounds / chemistry
  • Molecular Structure
  • Organometallic Compounds / chemistry
  • Stereoisomerism
  • Sulfonium Compounds / chemical synthesis*
  • Sulfonium Compounds / chemistry

Substances

  • (S)-N-benzylidene-2-methylpropane-2-sulfinamide
  • Benzylidene Compounds
  • Bromides
  • Imines
  • Lewis Acids
  • Magnesium Compounds
  • N-tert-butanesulfinylimino ester
  • Organometallic Compounds
  • Sulfonium Compounds
  • methyllithium
  • magnesium bromide