A Study on the Direct Esterification of Monoalkylphosphates and Dialkylphosphates; The Conversion of the Latter Species to Trialkylphosphates by Alkylating Esterification.

ABSTRACT: The microwave (MW)-assisted direct esterification of certain P-acids is a green method. Quantum chemical calculations revealed that the activation enthalpy (ΔH^#) for the exothermic monoalkylphosphate → dialkylphosphate transformation was on the average 156.6 kJ mol^-1, while ΔH^# for the dialkylphosphate → trialkylphosphate conversion was somewhat higher, 171.2 kJ mol^-1, and the energetics of the elemental steps of this esterification was less favorable. The direct monoesterification may be performed on MW irradiation in the presence of a suitable ionic liquid additive. However, the second step, with the less favorable energetics as a whole, could not be promoted by MWs. Hence, dialkylphosphates had to be converted to triesters by ano

SUBMITTER: Abranyi-Balogh P 

PROVIDER: S-EPMC9331942 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature