Novel MCRs of Isatins: Green Synthesis and Theoretical Study of Novel Thiazinoazepines

Abstract

This study examined the utilization of an intricate procedure including isatin, α-haloketones, electron-deficient acetylenic chemicals, ammonium acetate, and isothiocyanates in an aqueous solution at standard room temperature. The objective was to produce new thiazinoazepine compounds with substantial yields. The synthesized thiazinoazepines possess NH functional groups with acidic protons and exhibit significant antioxidant action. The synthesized compounds demonstrated antibacterial efficacy against both Gram-positive and Gram-negative bacteria, as evaluated by the disk diffusion method. Quantum chemical methods based on density functional theory have been employed to improve understanding of reaction mechanisms. The employed methodology for the synthesis of thiazinoazepines offers numerous benefits, such as swift reaction kinetics, exceptional product yield, and uncomplicated product isolation.