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In this research, we studied the one-pot multicomponent reaction of isatoic anhydride, electron deficient acetylenic compounds, α-haloketones, ammonium acetate, carbodiimides and Ag/Fe 3 O 4 /TiO 2 /CuO@MWCNTs magnetic nanocomposites as catalyst in aqueous at room temperature for the production of novel derivatives of pyrimidoazepines in excellent yields. Moreover, reduction of organic pollutants such 4-nitrophenol (4-NP) was performed by synthesized Ag/Fe 3 O 4 /TiO 2 /CuO@MWCNTs in water at room temperature. The outcomes showed this catalyst was decreased organic pollutants in few seconds. The synthesized pyrimidoazepines have OH and NH functional groups that have acidic hydrogen and show high antioxidant activity. These synthesized compounds also displayed antimicrobial activity by using the disk diffusion procedure and two Gram-positive and Gram-negative bacteria. Also, to better understand the reaction mechanism density functional theory (DFT) based quantum chemical methods have been applied. The employed process for the production of pyrimidoazepines has some benefits such as short time of reactions, excellent efficiency of product, easy separation of catalyst and products.

polycyclic aromatic compounds

An Efficient Synthesis and Study of Biological Activity of New Pyrimidoazepines Using Ag/Fe 3 O 4 /TiO 2 /CuO@MWCNTs Magnetic Nanocomposites: A Combined Experimental and Theoretical Investigation