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Synthesis of 1-isopropyl-4,7-dimethyl-3-nitronaphthalene: An experimental and theoretical study of regiospecific nitration
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نویسنده
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ourhriss n. ,zeroual a. ,ait elhad m. ,mazoir n. ,abourriche a. ,gadhi c.a. ,benharref a. ,el hajbi a.
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منبع
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journal of materials and environmental science - 2017 - دوره : 8 - شماره : 4 - صفحه:1385 -1390
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چکیده
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In this work,we were able to achieve a total regioselectivity for the nitration at c3 position of 1-isopropyl-4,7-dimethylnaphthalene. the structures of the nitro isomers obtained were established by 1h,13c nmr spectroscopy and confirmed using single-crystal x-ray diffraction. in parallel,a computational study has been performed in agreement with the experimental results obtained. with this purpose,all the s-complexes of the five nitro isomers neutral and protonated were optimized both in gas phase by using the b3lyp/6-31(d,p) level of computational theory. © 2017,university of mohammed premier oujda morocco.
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کلیدواژه
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1-Isopropyl-4 ,7-dimethylnaphthalene; DFT/6-31(d ,p); Electrophilic aromatic substitution; Parr function
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آدرس
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laboratory of biomolecular chemistry,natural substances and reactivity,urac 16,faculty of sciences semlalia,cadi ayyad university,p.o. box 2390,marrakech,morocco,biomolecular and organic synthesis laboratory,faculty of sciences ben m'sik casablanca,hassan ii university, Morocco, laboratory of biomolecular chemistry,natural substances and reactivity,urac 16,faculty of sciences semlalia,cadi ayyad university,p.o. box 2390,marrakech,morocco,laboratory of physical chemistry,faculty of science,chouaïb doukkali university,p.o. box 20,el jadida, Morocco, laboratory of biomolecular chemistry,natural substances and reactivity,urac 16,faculty of sciences semlalia,cadi ayyad university,p.o. box 2390,marrakech, Morocco, laboratory of biomolecular chemistry,natural substances and reactivity,urac 16,faculty of sciences semlalia,cadi ayyad university,p.o. box 2390,marrakech,morocco,department of chemistry,faculty of sciences el jadida,chouaib doukkali university,p.o. box 20,el jadida, Morocco, biomolecular and organic synthesis laboratory,faculty of sciences ben m'sik casablanca,hassan ii university, Morocco, laboratory of biotechnologym valorization and protection of vegetable resources (biote v.r.v),faculty of sciences semlalia,cadi ayyad university,p.o. box 2390,marrakech, Morocco, laboratory of biomolecular chemistry,natural substances and reactivity,urac 16,faculty of sciences semlalia,cadi ayyad university,p.o. box 2390,marrakech, Morocco, laboratory of physical chemistry,faculty of science,chouaïb doukkali university,p.o. box 20,el jadida, Morocco
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Authors
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