A DFT study of 1,3-dipolar cycloaddition reactions of 5-membered cyclic nitrones with α,β-unsaturated lactones and with cyclic vinyl ethers: Part 1

Abstract

The 1,3-dipolar cycloaddition of cyclic nitrones with electron-poor and electron-rich cyclic dipolarophiles (α,β-unsaturated lactones and vinyl ethers) is studied. The energies of the cycloaddition reactions have been investigated through molecular orbital calculations at the B3LYP/6-31+G(d) level theory. Different reaction channels and reactants approaches, effective in regio- and stereochemical preferences are discussed. The results were compared with experimental data to find a good agreement.