Thermal [4 + 2] cycloadditions of 3-acetyl-, 3-carbamoyl-, and 3-ethoxycarbonyl-coumarins with 2,3-dimethyl-1,3-butadiene under solventless conditions: a structural study

Molecules. 2010 Mar 9;15(3):1513-30. doi: 10.3390/molecules15031513.

Abstract

The thermal [4+2] cycloadditions of 3-acetyl-, 3-carbamoyl, and 3-ethoxycarbonylcoumarins with 2,3-dimethyl-1,3-butadiene under solvent free conditions are reported, as well as the epoxidation reactions of some adducts. Discussion is focused on the structural features of the Diels-Alder adducts and their epoxides, based upon NMR, X-ray, and mass spectral data, and supported by ab initio theoretical calculations.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkenes / chemistry*
  • Butanes / chemistry*
  • Coumarins / chemistry*
  • Cyclization
  • Magnetic Resonance Spectroscopy
  • Mass Spectrometry
  • Models, Molecular
  • Molecular Structure
  • Solvents
  • Temperature

Substances

  • Alkenes
  • Butanes
  • Coumarins
  • Solvents
  • 2,3-dimethyl-1,3-butadiene