Green Synthesis and Biological Activity Investigation of New Thiazinotriazines: A Combined Experimental and Theoretical Investigation

Abstract

The Petasites hybridus rhizome water extract was used as a green media for the preparation of the Fe3O4/TiO2/CuO@MWCNTs magnetic nanocomposites and its activity was evaluated by using it in the one-pot multicomponent reaction of isatoic anhydrides, electron deficient acetylenic compounds, α-haloketones, ammonium acetate, isothiocyanates and hydrazonoyl chloride in aqueous media at room temperature for the production of novel derivatives of thiazinotriazines in excellent yields. The synthesized thiazinotriazines have OH and NH functional groups that have acidic hydrogen and show high antioxidant activity. Moreover, reduction of organic pollutants such 4-nitrophenol (4-NP) was performed by synthesized Fe3O4/TiO2/CuO@MWCNTs in water at room temperature. The outcomes showed this nanocatalyst was decreased organic pollutants in few seconds. Also, to better understanding reaction mechanism density functional theory based quantum chemical methods have been applied. The employed process for production of thiazinotriazines has some benefits such as short time of reactions, excellent efficiency of product, easy separation of catalyst and products.