Efficient One‐Pot Synthesis of Dibenzoxanthenes Using a Vinylimidazolium‐Based Brønsted Acidic Ionic Liquid [VSBIM][Cl]: In Silico Evaluation of Drug‐Likeness, ADMET Properties, PASS Analysis, Antiviral Activity Prediction, and Molecular Docking Stud
Talamarlla Deepthi, Barnali MaitiDibenzoxanthene derivatives have produced considerable interest due to their pharmacological, photophysical, and organic optoelectronic properties. Herein, a facile one‐pot methodology was developed for the synthesis of 14‐(aryl)‐14H‐dibenzo[a,j]xanthene derivatives employing 5 mol% of the Brønsted acidic ionic liquid 1‐vinyl‐3‐(4‐sulfobutyl) imidazolium chloride [VSBIM][Cl] as an efficient and recyclable catalyst under solvent‐free conditions. This protocol enables the condensation of β ‐naphthol with varied aryl or heteroaryl aldehydes to afford dibenzoxanthenes under neat conditions at 110°C. Nineteen 14‐(aryl)‐14H‐dibenzo[a,j]xanthene derivatives were prepared in good to high yields. The synthesized dibenzoxanthenes were characterized by 1 H and 13 C NMR along with FT‐IR spectroscopy. Furthermore, photophysical properties, drug‐likeness (SwissADME), ADMET, PASS antiviral prediction, and molecular docking against Human Cyclooxygenase‐2 (PDB: 5IKQ) were performed as preliminary in silico studies.