Sharif Digital Repository

Benzimidazoles are a bioactive family of chemicals which had been subject of many studies because of their valuable properties, and has a long history of production in chemical industries. Investigation on their properties and reactions with goal of achieving to new derivatives have drawn attention of many research teams. Recently, 2- Imidazolineaminobenzimidazole had been synthesized by microwave-assisted reaction of 2-Aminobenzimidazole with 2-Methylsulfanylimidazoline hydrogen iodide. But because of difficulties aroused by use of microwave system and expensive chemicals, we decided to utilized reaction procedures which could be facile, inexpensive with capability of high reaction scales.... 

The current study deals with application of a surfactant-like Brønsted acidic ionic liquid (IL) 1-dodecyl-3-methylimidazolium hydrogensulfate (catalys 1) for Mannich reaction at room temperature. The reaction has been efficiently proceeds in water as solvent without using any harmful and expensive organic additives. Our observation has been shown that the reaction is selective for cyclohexanone and no product was observed by using cyclopentanone at room temperature. Density functional theory (DFT) calculations were performed to provide evidence about the nature of reactivity of the cyclohexanone/cyclopentanone. The activity of the catalyst 2 (1-dodecyl-2,3-dimethylimidazolium... 

Quantum calculation based on the density functional theory (DFT) level and 6-311++G (d,p) basis set was employed to study the relation between the structure and radical scavenging activity of a series of hydroxybenzohydroxamic acid derivatives, namely: [HU]; hyroxyurea, [TX]; 3,4,5-trihydroxybenzamidoxime, [DX]; 3,4-dihydroxybenzohydroxamic acid, [4-HBA]; 4-hydroxybenzohydroxamic acid, [2,3-DHBA]; 2,3-Dihydroxybenzohydroxamic acid, [3,5-DHBA]; 3,5-Dihydroxybenzohydroxamic acid and [2-HBA]; 2-hydroxybenzohydroxamic acid in the gas phase, water and benzene environments. The hydrogen bond property of the studied structures and their radicals as well as radical cations was investigated using... 

Antibacterial coatings are a branch of paints and coatings industry that has a wide application from Clothing and Textiles to Floor and Medical instrument. Different antibacterial agents such as silver, titanium dioxide, zinc oxide, gold, chitosan, Silicon dioxide, Magnesium hydroxide and carbon nanotubes have been used. UV curable coatings are economic and environmentally friendly coatings and they are one of the fastest growing segments in the paint and coatings industry. Many studies have been conducted on UV curable coatings and their properties. Among different resins, The UV curable polyurethane offer properties such as: Excellent hardness, High gloss, good chemical and weather... 

TiO2/SiO2/HPAsnanocompositeswas prepared by the sol-gel technique at room tempareture and used as the heterogeneous catalysts for the acylation of alcohols employing acetic anhydrid under solvent-free conditions at room tempareture. It was found that the catalytic activity of TiO2/SiO2/HPAs, in all cases of HPAs, was much higher than that of TiO2/SiO2. The most catalytic activity was obtained by TiO2/SiO2/H14NaP5W30O110 which completed the acylation reaction of benzyl alcohol at 1h. Examining the various concentrations of H14NaP5W30O110 in the composite, 9% w/w concentration of TiO2/SiO2/HPAs showed maximum catalytic activity, and by increasing the HPA concentration, activity remains... 

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... 

In the first section, for the first time, a reaction of dithiocarbamic acid salts with carbonyl compounds has been investigated in the presence of BF3.OEt2. The reaction is temperature dependent meaning that the reaction gives two different products at low and high temperatures. At 15-20 0C, the 2-iminium-1,3-dithietane is the main product.As the reaction temperature goes up, formation of gem-bis(dithiocarbamates) is dominant.In addition, deprotection of gem-bis(dithiocarbamates) was investigated by using of nitric acid as the only deprotecting agent. The structure of a 2-iminium-1,3-dithietane was confirmed by X-ray crystallographic analysis.
In the second and third sections, in our aim... 

Briefly in this thesis, these subjects have been investigated: In recent years, water is used as a solvent instead of an organic solvents have become more and more important due to cheap and environmental consideration. In this context, preparation of quinoxaline, pyrrole, new 1,4-dihydropyridine and reduction of imine to amine with 1,4-dihydropyridine derivatives as the reducing agents with the use of one-pot multicomponent reaction have been reported. The existence of several hydrogen bonding groups (NH) in the new dihydropyridines they acts as biologically active compounds in the forthcoming years. In continuation, oxidation of thiols to disulfides in the presence of NBS and NCS and... 

In this thesis, heterogenous catalysts based on magnetic nanoparticles were synthesized. In these catalysts, magnetic nanoparticles were coated with defferent fuctional groups to produce a catalyst with magnetic properties which is easily separated from the reaction medium. The structure of synthesized catalyst was characterized using techniques such as transmission electron microscopy (TEM), scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), and CHNS elemental analysis. Easy preparation, low cost, biodegradability and high thermal stability are advantages of these catalysts. At the end, the catalytic properties of resulted catalysts were investigated in many... 

The current thesis deals with designing of functionalized nanoporous catalysts modified with organic groups and ionic liquids and their applications for some challenging organic reactions such as synthesis of adipic acid and fatty acid esterifications. In this condition the catalysts show enhanced activity since the hydrophobicity of the surface can tune by applying organic groups. In this regard, oxidation of cyclohexene was performed using hydrogen peroxide as oxidant in the present of tungstate based task–specific ionic liquids and silica–functionalized ammonium tungstate as green catalysts. The results indicate that adipic acid achieves in high yield with excellent selectivity.... 

The purpose of this study is to prepare a catalyst for copper nanoparticles that can be used in C-H activation processes in order to increase copper salt catalytic processes by converting it into a catalyst with characteristics of having recovery cycles, convenient separation and environmental friendliness and being in nano size. Consequently, copper nanoparticles are directly grafted onto graphene oxide, or using para-aminobenzoic acid grafted on graphene oxide. A copper nanoparticle catalyst was used in the reaction to activate the C(sp2)-H bonds of benzoxazole molecule and C-N bonds formation with secendary amines. Using the results of transition electron microscopy (TEM), scanning... 

In this thesis the graphene-based magnetic nanocatalyst was synthesized. The surface of this catalyst was cavered by silica and AgNPs. In addithion of simple sepration by magnetbar, yeild of reaction was promoted by surface modification. Catalyst structure was verified by transmission electron microscopy , scanning electron microscope, fourier transform infrared spectroscopy, X-ray diffraction and Energy dispersive spectroscopy.At the end catalytic activity was examined by oxidation reaction in persense of different alcohols. The oxidation of benzylic alcohol with electron withdrawing substituents was more difficult and the yield was lower, but electron donor substituents effect positively... 

In this thesis, a heterogeneous nanocatalyst based on graphene oxide was synthesized. To improve the graphene oxide, it was reacted with paraaminobenzoic acid and then metal salts (cobalt and manganese) were coated on it. The structure of the catalyst was confirmed by field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), quantitative X-ray diffraction (EDS) and infrared (FT-IR) spectroscopy. Finally, the catalytic properties of the catalysts were evaluated in the oxidation reaction of different alcohols in the presence of oxygen. In the presence of benzyl alcohols with lethal electron groups, the oxidation conditions are stricter and the reaction efficiency is lower.... 

The purpose of this study is to prepare platinum nanoparticles catalysts whitch can be used to C-H activation processes. In order to increase platinum salt catalytic activity, by converting it into a catalyst with characteristics of having recovery cycles, convenient separation and environmental friendliness and being in nano size. Consequently, platinum nano particles were grafted on modified graphene oxides. Catalysts structures were verified by scanning electron microscope, fourier transform infrared spectroscopy, X-ray diffraction, and energy dispersive spectroscopy. Subsequently catalytic activity was examined for C(sp3)-H activation reaction with 3 amines and C-C bond formation. A...