Unusual approach to 3-aryl-2-aminopyridines through a radical mechanism: synthesis and theoretical rationale from quantum mechanical calculations

J Org Chem. 2011 Mar 4;76(5):1452-5. doi: 10.1021/jo102122h. Epub 2011 Jan 25.

Abstract

Tris(trimethylsilyl)silane and azobis(cyclohexanenitrile) promoted the easy intramolecular arylation of aryl bromopyridine carbamates through a radical [1,6] ipso substitution process. These substrates showed a preference for this type of reaction over the alternative [1,7] addition. The results were rationalized by making use of quantum mechanical calculations and computer graphics.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aminopyridines / chemical synthesis*
  • Aminopyridines / chemistry
  • Free Radicals / chemistry
  • Models, Molecular
  • Molecular Structure
  • Quantum Theory*
  • Stereoisomerism

Substances

  • Aminopyridines
  • Free Radicals
  • alpha-aminopyridine