Origins of stereoselectivity in the oxido-alkylidenation of alkynes

Org Lett. 2008 Oct 16;10(20):4597-600. doi: 10.1021/ol8019154. Epub 2008 Sep 18.

Abstract

A mild, convenient oxido-alkylidenation of alkynes is described. The three-step sequence involves the 1,3-dipolar cycloaddition of a nitrone and an alkynoate, oxidation of the resulting isoxazoline, and stereoselective extrusion of nitrosomethane. Quantum mechanical calculations identified the interactions of R3 with the oxidant and the preferred conformation of a diradical intermediate as major factors controlling the stereoselectivity of the oxidation and torquoselectivity of the extrusion.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkylation
  • Alkynes / chemistry*
  • Models, Molecular
  • Molecular Structure
  • Oxidation-Reduction
  • Oxides / chemistry*
  • Stereoisomerism

Substances

  • Alkynes
  • Oxides