فهرست مطالب shakir saeed

Using a multicomponent reaction of isatin or benzaldehydes, malononitrile, ethyl 2,4-dioxo-4-arylbutanoate, ammonium acetate, and hydrazonoyl chlorides in aqueous media at room temperature in the presence of Ag/Fe3O4/SiO2@MWCNTs MNCs, this research produced cyclopentatriazines as new derivatives with a high yield. Another investigation in this work examines the antioxidant properties of the produced cyclopentatriazine. The applied method for producing cyclopentatriazine demonstrated a number of desirable traits, including quick reactions, high yields of the final product, and straightforward separation of the product and catalyst from the reaction mixture.

Thioethers are one of the most important family of organosulfur compounds that have shown lots of applications in pharmaceuticals, agrochemicals, polymeric materials and organic dyes. Interestingly, over 30 FDA-approved drugs contain at least one thioether motif in their structures and are used to treat a wide range of diseases, from depression to rheumatoid arthritis to acute coronary syndrome. Therefore, looking for novel, efficient, and straightforward methodologies for their synthesis from low cost, readily available, and non-toxic starting materials is very important in organic chemistry. In this context, the reactions between various electrophiles and sulfenylating agents has recently attracted more and more attention as a general and straightforward route for their synthesis. However, most of the existing sulfenylating agents had some disadvantages, such as a foul smell, high cost and being unstable to air and moisture. Recently, sulfinic esters have emerged as odor-less, easily accessible, stable and easy to handle sulfenylating agents and successfully applied in the synthesis of various aliphatic and aromatic thioethers, mainly through the site-selective functionalization of C–H bonds. The purpose of this review is to provide an overview of the available literature on the synthesis of thioethers using sulfinic esters as sulfenylating agents, with special emphasis on the mechanistic features of the reactions. Literature has been surveyed from 2016 to the end of 2022.

In this research, the adsorption behavior of Fe-decorated porphyrin is investigated toward ethionamide (EA) using Density Functional Theory (DFT) calculations. Total energies, geometry optimizations were obtained and Density of State (DOS) analysis was performed at B3lyp level of theory with the 6-31G* basis set. The adsorption energy (Ead) between EA and the pristine, Si-, Ga- and Al-doped graphene is changed in the following order: Ga-Complex-N(ring) > Al- Complex-N(ring) > Si-Complex-N(ring) > Complex-S. The Ead of the Graphene-EA complex is -2.552 kcal/mol, which is low and shows that the adsorption is physical. The % ΔEg= -59.61% for Si-doped graphene EA shows the high sensitivity of the Si-doped graphene to the adsorption of EA. The Eg for Ga-doped graphene-EA decreases significantly from 2.35 to 1.11 eV and the rate of change is %ΔEg = -52.75%, showing the high sensitivity of Ga-doped graphene to the adsorption of EA. However, the high Ead of -36.66 kcal/mol shows that the Ga-doped graphene can be used as a suitable sensing device only at higher temperatures. The % ΔEg= -58.98 % for Al-doped graphene-EA indicates the high sensitivity of the Al-doped graphene to the adsorption of EA. The Ead of -34.53 kcal/mol can be used as a suitable sensing device only at higher temperatures.