Sharif Digital Repository

Present work focuses on the influence of Heteroatom(s) on the bacisity of specific group of amines through the intramolecular hydrogen bonding. This group includes Aza-Crown Ethers specifically. We used Spartan and Gaussian packages to gain optimized structures for all compounds in order to explore the influence of the intramolecular hydrogen bonding on the bacisity of amines. All the gas phase optimizations and energy calculations were performed at the DFT/B3LYP/6-311++G(d,p) level of theory. The Hf/6-31+G(d,p) level was used for all single point calculations in the solution phase. As commonly used solvents in organic and biological reactions, the solution phase calculations were carried... 

This research project contains two parts that investigating new approaches for becoming closer to green chemistry principals is clear in it. In the first part we tried to synthesis dithiocarbamate salts using aromatic amins and than Michael addition of them to prepare bifunctional dithiocarbamats. But we found ?-thiols as final product. In the second part of this project, we investigated the regioselective epoxide ring opening with aromatic amines by using boric acid and glycerol in water as a green media. Corresponding ?-amino alcohols were obtained with excellent yields and considerable regioselectivity. High yields of the products, mild reaction conditions, using green catalyst and water... 

This project investigates on synthesis of β-amino carbonyl compounds with new approach to become closer to green chemistry principals.In this project, we investigated the synthesis of β-amino carbonyl compounds with aromatic amines and electron deficient alkenes in the Michael reaction using boric acid and glycerol in water as a green media. High yields of the products and easy handling are some advantages of this procedure. Also, we investigated the Michael reaction in different solvents and temperatures but gave better results in the aqueous media. Moreover, thiomorpholine derivatives were synthesized using this method to give excellent yield.
 

The fused pyrimidine rings have many biological applications such as antibacterial, antiviral, antitumor and anti-inflammation activity. Therefore, their synthesis has attracted many attentions. In this thesis, the synthesis of fused pyrazolopyrimidine rings through two component reaction catalyzed by iodine was investigated. In this reaction, iodine is used to active the imine bond. Low toxicity, availability, low cost and stability to air are some benefits of iodine as a Lewis acid leading to widespread application of I2 in many different organic transformation. Mild reaction conditions, high yields and lower reaction times are among the main advantage of these reactions.
Another part... 

Sulfur containing compounds are known as the most applicable group of organic compounds. Due to their medicinal and biological applications, dithiocarbamates are the most considerable among the many sulfur containing compounds. There are many procedures reported to synthesize these compounds as synthetic intermediates instead of thiophosgen and isothiocyanates. The reaction of amine and carbon disulfide is reported as the best and least hazardous way to synthesize this functional group. In this project heterocyclic compounds such as thiazoles, thiazolidine-2-thione, and 2-(alkylthio)thiazol-4(5H)-one derivatives were synthesized from the reaction of prepared dithiocarbamates with in situ...