پديد آورنده :
شياسي، رضوان
عنوان :
بررسي اثر كاتاليزور بر سنتز متيل ساليسيلات با استفاده از متوكسي بنزن و محاسبات شيمي كوانتومي ساختار و پيوند هيدروژني مشتقات جديد ساليسيليك اسيد و متيل بنزوات
مقطع تحصيلي :
كارشناسي ارشد
محل تحصيل :
اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي
صفحه شمار :
دوازده،97،[II]ص.: مصور،جدول،نمودار
يادداشت :
ص.ع.به فارسي و انگليسي
استاد راهنما :
عبدالحسين دباغ
توصيفگر ها :
آلكيلاسيون فريدل-كرافتس , آسيلاسيون فريدل- كرافتس , آناليز كانفورماسيوني , پيوند هيدوژني درون ملكولي
تاريخ نمايه سازي :
3/9/88
استاد داور :
عبدالرضا حاجي پور، امير عبدالملكي
چكيده فارسي :
به فارسي و انگليسي: قابل رويت در نسخه ديجيتالي
چكيده انگليسي :
Catalyst Promoted Synthesis of Methyl Salicylate from Methoxy Benzene and Quantum Chemical Study of Structure and Hydrogen Bonding of New Derivatives of Salicylic Acid and Methyl Benzoate Rezvan Shiasi RezvanShiasi@yahoo com April 13 2009 Department of Chemistry Isfahan University of Technology Isfahan 84156 83111 Iran Degree M Sc Language Farsi H A Dabbagh Prof dabbagh@cc iut ac ir Abstract Salicylates are the most important benzoic acid derivatives due to their biological and pharmaceutical activities and industrial widely applications In this project Friedel Crafts reaction of methoxy benzene anisole with methyl chloroformate was utilized for the synthesis of salicylic acid The effect of catalyst type and amount temperature and reaction time were investigated in order to optimizing the overall reaction yields For this purpose different type of alumina aluminium trichloride iron trichloride nickel dichloride and silica gel were used as catalyst Also recoverability and friendly green chemistry catalysts such as silica supported aluminium chloride and alumina supported zirconia dioxide were used The structure of all the synthesized compounds were studied by GC MS MASS and characterized by 1H NMR and FT IR Reaction of electron rich 1 3 5 trimethoxy benzene 25 with methyl chloroformate reagent was also examined using FeCl3 as catalyst The effect of decreasing the number of electron donating group methoxy group in these reactions also was investigated In theoretical section of this project the effect of intramolecular hydrogen bonding on stability of products derived from reaction of 1 3 5 trimethoxy benzene 25 was studied The structures of 2 4 dimethoxy benzene 23 dimethyl 2 hydroxy 4 6 dimethoxy isophetalate 27 methyl 2 hydroxy 4 6 dimethoxy 3 2 4 6 trimethoxy benzoyl benzoate 28 methyl 2 4 6 trimethoxy benzoate 29 dimethyl 4 6 dihydroxy 2 methoxy isophetalate 30 and methyl 6 hydroxy 2 4 dimethoxy 3 2 4 6 trimethoxy benzoyl benzoate 63 were optimized theoretically by performing HF B3LYP and MP2 levels of theory using the standard 6 31G basis set Conformational analysis of these compounds was performed So the most stable and most unstable conformers of these compounds were determined The structural isomers 28 and 63 with their tautomers due to distinguished the best and most stable structure were investigated and 1H NMR spectroscopies of them were calculated by using B3LYP 6 31G level of theory The calculated results were compared with the experimental findings and they were in good agreement with the experimental results Key Words Salicylic acid Friedel Crafts alkylation Friedel Crafts acylation Conformational analysis Intra molecular hydrogen bonding pdfMachine A pdf writer that produces quality PDF files with ease Produce quality PDF files in seconds and preserve the integrity of your original documents Compatible across nearly all Windows platforms simply open the document you want to convert click print select the Broadgun pdfMachine printer and that s it Get yours now
استاد راهنما :
عبدالحسين دباغ
استاد داور :
عبدالرضا حاجي پور، امير عبدالملكي
