Sharif Digital Repository

In this study, using the B3LYP/6-3111++g(d,p) computational level, we have explored the possibility of formation of some organic and bioorganic cation-cation clusters (CCC) in the absence of any anionic stabilizing species. Furthermore, we have shown the existence of a barrier energy for exothermic dissociation of these clusters. Herein, we have selected some biomolecules such as the chloroquine (CQ) antimalarial drug . The selected molecules possess the basic sites and can function as both hydrogen bond donors and acceptors. Also, a facile and direct synthetic route toward the rhodanine derivatives and thiazolidine-2,4-diones via a three-component coupling of carbon disulfide, primary... 

Nowadays, heterocycle compounds containing sulfur have become very important in various industries, especially the pharmaceutical industry; Therefore, these two projects aim to provide better and more efficient ways to synthesize these types of compounds. In the first project, we developed an efficient one-pot, four-component procedure for the synthesis of 2,6-diamino-4-Aryl-4H-Thiopyran-3,5-dicarbonitrile derivatives via a reaction between primary amines, carbon disulfide, malononitrile, and benzylidenemalononitrile in the presence of magnetic NH2.MIL-101(Fe)/ED as a basic metal-organic framework catalyst. Magnetic NH2.MIL-101(Fe)/ED was synthesized through anchoring FeCl3 on CoFe2O4... 

Nowadays, heterocyclic compounds have become extremely important in various industries, especially the pharmaceutical industry.In this project, an efficient and environmentally friendly path is presented to synthesize numerous rhodanine-oxindole derivatives in polyethylene Glycol in one pot-four components procedure. This pathway doesn't need harsh reaction conditions such as high temperature, long time, catalysts, complicated separation steps, toxic solvents, etc. all products have been made under green strategy with high yield.
 

A series of innovative and efficient synthetic methods for the preparation of various derivatives of complex organic compounds have been introduced. These methods include one-step, multi-component, catalyzed ring-closing reactions, and kinetically controlled reactions, specifically designed for the synthesis of compounds with unique properties and potential medical applications. In these reactions, compounds such as rodanine-oxindole, dihydrospirocyclopentanebisoxindoles, thioxotiazolidine-indoline-2-ones, oxyindoline-carbamodithioate hybrids, and pyrrolo-pyrazol derivatives with oxindole structures and pharmaceutical potential have been synthesized. One of the prominent features of these...