Sustainable synthetic approaches using [C(16)Im][Oxa] as a flexible organocatalyst and DFT studies toward 3,4-dihydropyrimidinones and benzoxazines

Abstract

Easily accessible 1-hexadecyl-1H-imidazol-3-ium oxalate is highly efficient Bronsted type acidic catalyst for the selected multicomponent one-pot reactions. The short reaction times, easy workup procedures, and green metal-free conditions for the reactions make the protocols more advantageous. Further reactions proceeded smoothly in good to excellent yields with high purity. To investigate mechanism of the multicomponent reactions, DFT calculations were performed.