Regioselective de novo synthesis of cyanohydroxypyridines with a concerted cycloaddition mechanism

J Am Chem Soc. 2008 Oct 8;130(40):13219-21. doi: 10.1021/ja804078v. Epub 2008 Sep 11.

Abstract

An efficient cycloaddition reaction of 1-alkoxy-1-azadienes with alpha,alpha-dicyanoalkenes is described, which gives facile access to highly substituted 3-hydroxypyridines in very good yields and with complete regiocontrol and chemoselectivity. The reaction path was investigated in detail by quantum mechanics calculations, reporting that a concerted cycloaddition mechanism and thermodynamic control synergistically contribute to the observed selectivity.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkenes / chemistry
  • Aza Compounds / chemistry
  • Cyanides / chemistry*
  • Cyclization
  • Models, Molecular
  • Molecular Structure
  • Pyridines / chemical synthesis*
  • Pyridines / chemistry

Substances

  • Alkenes
  • Aza Compounds
  • Cyanides
  • Pyridines
  • hydroxypyridines