An Efficient Synthesis and Study of Biological Activity of New Pyrimidoazepines Using Ag/Fe3O4/TiO2/CuO@MWCNTs Magnetic Nanocomposites: A Combined Experimental and Theoretical Investigation.

Autor: Soleimani-Amiri, Somayeh, Mohammadi, Marziyeh, Faal Hamedani, Naghmeh, Dehbandi, Behnam
Předmět:
Zdroj: Polycyclic Aromatic Compounds; 2023, Vol. 43 Issue 7, p6046-6075, 30p
Abstrakt: In this research, we studied the one-pot multicomponent reaction of isatoic anhydride, electron deficient acetylenic compounds, α-haloketones, ammonium acetate, carbodiimides and Ag/Fe3O4/TiO2/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/Fe3O4/TiO2/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. Green chemistry is the use of a set of principles to reduce or eliminate the use or generation of unsafe materials in the design, fabrication and applications of chemical products. Among solvents, water is a green solvents and very suitable for performing organic reaction. The present procedure avoids the use of toxic solvent. In medicinal chemistry, the heterocyclic compounds have a well-known subject due to having wide area of biological activities of these compounds. Therefore these compounds are very important and for the synthesis of these compounds existed many procedures. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index
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