Metal-free intermolecular formal cycloadditions enable an orthogonal access to nitrogen heterocycles

Nat Commun. 2016 Mar 15:7:10914. doi: 10.1038/ncomms10914.

Abstract

Nitrogen-containing heteroaromatic cores are ubiquitous building blocks in organic chemistry. Herein, we present a family of metal-free intermolecular formal cycloaddition reactions that enable highly selective and orthogonal access to isoquinolines and pyrimidines at will. Applications of the products are complemented by a density functional theory mechanistic analysis that pinpoints the crucial factors responsible for the selectivity observed, including stoichiometry and the nature of the heteroalkyne.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalysis
  • Cyclization
  • Cycloaddition Reaction
  • Isoquinolines / chemical synthesis*
  • Molecular Structure
  • Nitrogen / chemistry*
  • Pyrimidines / chemistry*
  • Stereoisomerism
  • Thermodynamics

Substances

  • Isoquinolines
  • Pyrimidines
  • Nitrogen