الفهرس 
General part
Chemistry of 1,3-oxathiolan-5-oneOnly 14 pages are availabe for public view
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Abstract
The aim of the present work is to design and synthesize some of new bioactive heterocyclic systems starting from 2-methyl-2-phenyl-1,3-oxathiolan-5-one (1) as an important synthon which acts as acyl transfer agent and to evaluate the biological activity of the new compounds as well. The present work is planned to investigate the behavior of 1 towards various reagents. Therefore, the sequences of these reactions followed for the synthesis of the designed compounds. The original work of the thesis is subdivided into three parts:Part 1: Chemical reactivity studies: This part is subdivided into two sections: Section 1: Rational Design to Construct Pyridinonethiol and its Annulated Frameworks. Multicomponent domino reactions (MDRs) of compound 1 with different acyclic or cyclic α,β-unsaturated carbonyl compounds 2, 4, 8, 10 and aniline in presence of CeCl3.7H2O/KI afforded the corresponding pyridinonethiol derivatives 3, 5, 7, 9 and 11, respectively. Section 2: Peculiar behavior of 1,3-oxathiolane-5-one towards different reagents: The outstanding chemical reactivity of compound 1 persuaded us to study its chemical behavior towards different reagents such as o-hydroxy aromatic aldehyde, ketone, α-haloester, α,β-unsaturated carbonyl compounds, amines and hydrazide derivatives. Accordingly, the reaction of compound 1 with 2-hydroxy-1-naphthaldehyde in boiling water provided tandem Knoevenagel product. Part 2: Geometrical optimization. Geometrical optimization of the molecular structures for the different compounds was carried out using the density functional theory via calculations using DMOL3. Part 3: Biological Evaluation The newly synthesized target compounds were evaluated for their in vitro antioxidant and antitumor activity. They were also evaluated for their in vitro anti hepatic cancer cell line HepG-2. The results showed that compounds 29, 33 and 34 have excellent antioxidant and anti HepG-2 activities.