THERMODYNAMIC ASPECTS OF AMINOLYSIS PROCESSES OF UNSYMMETRIC ALKYLENE CARBONATES

The article analyzes the peculiarity of the reaction of urethane formation of alkylene carbonate – amine. Using quantum chemical calculations using the B3LYP hybrid functional embedded in the Gaussian-16 software package, the authors evaluated the thermodynamic feasibility of the presented reactions. The results obtained under the specified standard conditions showed that the interaction of asymmetric alkylene carbonates with amines leads to the formation of a mixture of isomeric urethane alcohols containing primary and secondary hydroxyls. Moreover, the ratio of isomers and the thermodynamic parameters of the synthesis processes significantly depend on the structure of the amine component. An assessment of the thermodynamic possibility of the reactions shown in the article is of interest for the creation of effective technologies for the production of non-isocyanate urethanes. The proven structure of the resulting urethane-containing products suggests their chemical interaction with active groups of collagen in technological processes for processing leather and fur.