Lanthanum triflate as a capable catalyst for the synthesis of xanthenediones and the corresponding theoretical studies

Abstract

Abstract The main purpose of this work was proposing a versatile and capable method for the synthesis of diverse xanthenediones from the three-component condensation reaction of two moles of dimedone and one mole of various aldehydes by the lanthanum triflate catalyst in solvent-free conditions at 60 °C. The products were characterized by comparison of their melting points, IR, and NMR spectra with authentic samples. Also, the proposed reaction mechanism for the synthesis of xanthenediones was confirmed at M062x/def2-SVP level of theory in the gas phase.