On the question of the synthetic potential of 2,4,6-trihydroxytoluene — some structural features of acyl derivatives

Abstract

The paper presents the results of studying the formation of intramolecular hydrogen bonds in 2,4,6–trihydroxy–3-methylbenzaldehyde and 1-(2,4,6–trihydroxy–3-methylphenyl) ethane-1-one molecules by quantum chemistry and NMR 1H spectroscopy. Based on data on the total energies of possible conformations and the lengths of hydrogen bonds between the carbonyl group and the hydrogen atoms of OH groups associated with the second carbon atom of the carbocycle. The conclusions made are in good agreement with the NMR data of the 1H spectra of the studied compounds. It is concluded that the data obtained are important for the interpretation of the results of the properties of 1,3,5-trihydroxybenzene and 2,4,6-trihydroxytoluene derivatives.