Research on Chemical Intermediates 49 (9), 4065-4086 (2023)

https://link.springer.com/article/10.1007/s11164-023-05065-9

Abstract

In this work, the efficient and green method has been presented to prepare arylbenzimidazoles via an aqueous, one-pot reaction. The products were obtained using the reaction between aldehydes, malononitrile, and 1,2-phenylenediamine in water as a solvent at room temperature. SnFe₂O₄ nanoparticles were used as the heterogeneous catalyst at room temperature under an inert atmosphere. The morphology and composition of the catalyst have been defined by SEM, XRD, UV–Vis, FTIR, and Raman spectroscopy. Ten different arylbenzimidazoles were prepared in 70–98% yield. The structural properties of the synthesized arylbenzimidazoles were investigated using FT-IR, NMR, and mass spectrometry. The plausible mechanism was studied using DFT calculations. Furthermore, molecular docking simulations identified the synthesized arylbenzimidazoles as an activator of transmembrane proteins of the human innate immune system. The usefulness of the product as a Human transmembrane Protein activator was proved using Docking studies.