A green transformation of ketones into dioxolanes by Tunisian acid activated clay under solvent free: Experimental and theoretical studies
Written by sctunisie no commentsWe have studied the condensation of ethylene glycol 1 and a series of methylketones 2a-e in the presence of the acid activated clay HA without solvent and under autogeneous pressure. The structures of 2-methyl-2-(R)-dioxolanes 3a-e were characterized by 1H and 13C NMR spectroscopy. These compounds were fully optimized at DFT level of theory with the functional B3LYP and 6-31G (d,p) basis set as minimum on the potential surfaces at the same level of theory. The more stable geometries of these compounds have been determined and characterised. A good agreement was then obtained between the experimental and theoretical results. Moreover, we have proposed the mechanism of the formation of dioxolanes 3 by acetalization of methylketones 2 catalysed by Bronsted and Lewis acid sites localized on the active surface of the acid activated clay HA.
W. Hagui, A. Mostefai, A. Rahmouni, M.L. Efrit, E. Srasra, N. Besbes
Tunisian acid activated clay, dioxolane, atomic charge, Mulliken charge, DFT calculation
Pages 1-9
