This paper describes the synthesis and characterization of tetrabutylphosphonium methanesulphonate ionic liquid and its use for the first time as a catalyst in a multicomponent reaction for one-pot synthesis of dihydropyrimidine derivatives from various aromatic aldehydes, methyl or ethyl acetoacetate, and urea or thio-urea under solvent-free conditions at 120 °C. About 21 different dihydropyrimidine derivatives have been synthesized in excellent yields. The advantages of this method are the following: solvent-free conditions, a small amount of catalyst required, shorter reaction time, easy workup procedure, and no hazardous organic solvents or toxic catalysts. This catalyst was easily prepared and showed an excellent level of reusability. The molecular docking study was performed to evaluate interactions between the active compounds with Leishmania pteridine reductase 1 (PTR1). Using theoretical evaluation, ADME properties in silico were investigated for their oral bioavailability to predict the safer efficacy of the synthesized compounds.

Ionic liquids (ILs) have remarkable properties and applications in many areas of science. Phosphonium ILs have become important because of their unique chemical and thermal stabilities. The present work is focused on the synthesis, characterisation, physicochemical properties, and microbial toxicity assessment of phosphonium ILs bearing seven different fatty acid anions. The structures of the synthesised ILs were confirmed by 1H and 13C nuclear magnetic resonance (NMR) and FTIR spectroscopy. Physicochemical properties such as density and viscosity of pure ILs were measured at temperatures ranging from 298.15 to 313.15 K. The experimental density decreased, whereas the viscosity increased with an increasing number of carbon atoms in the anion. The derived properties were also found to be anion dependent. The thermal decomposition temperature was investigated by TGA. Subsequently, the toxicity profile of the ILs was determined for selected Gram positive and Gram negative bacteria and some species of fungi in terms of minimum inhibitory concentrations (MIC). The results show that the antimicrobial activities of the ILs are strongly related to the structures of the ILs, where an increase in toxicity was observed with increasing alkyl group chain length of the fatty acid anion.

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