New task-specific ionic liquids as bifunctional organocatalysts; Synthesis, characterization, and computational insights

• DOI: 10.1016/j.jscs.2023.101687
• Publication Date: 2023-07-13T01:49:42Z
• Authors: Muhammad Nisar; Humaira Yasmeen G...; Shanza Munir; Zain Maqsood Cheema; Sami A. Alhussain; Magdi E.A. Zaki
• Keywords: Tetrafluoroborate; Reactivity

A new class of functionalized imidazolium-based Task-Specific Ionic Liquids (TSILs) is designed as low-cost bifunctional organocatalyst. New alkoxymethylimidazolium ILs are efficiently synthesized under solvent free conditions and extensively characterized by physical spectral studies. The newly demonstrate excellent catalytic potential in condensation reactions high importance, such the Biginelli reaction for synthesis medicinally important dihydropyrimidiones. effect alkoxy group counter-ions imidazolium salts were evaluated detail. Moreover, computational studies employed to explore structural dynamics physicochemical properties prepared ionic liquids. 3-(iso-butoxymethyl)-1-methyl-1H-imidazol-3-ium tetrafluoroborate (iBOMMIMBF4 7) exhibited highest ability due combined influence structure, counterion nature, electrophilicity index, availability reactive C2-H. Some notable advantages TSILs include efficient catalyst preparation, simple work-up procedure, recyclability, short times, yields.