Theoretical Studies on Electrophilic Aromatic Substitution Reaction for 8-Hydroxyquinoline
نویسندگان
چکیده
منابع مشابه
Theoretical study on the regioselectivity of electrophilic aromatic substitution reactions of azulene.
In this study electrophilic affinities were calculated at all reactive positions of azulene in electrophilic aromatic substitutions. Structures of cationic intermediates and products were optimized at HF/6-31+G* and B3LYP/6-31+G** levels of theory, and single point calculations were carried out at MP2/6-31+G**//B3LYP/6-31+G** for total energy. NICS calculations, activation energies and relative...
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Relative yields of C-6, C-8. and C-6 and C-8 substituted catechins obtained from the reaction of (+ )-catechin or 3' 4',57-tetra-O-methvl-( + )-catechin with pyridinium hydrobromide-perbromide, bromine. p-hydroxybenzyl al~oh~I, or o-hydroxybenZyI alcohol showed differing selectivities depending upon the electrophile used. Ratios of C-6 to C-8 substituted products were 1 : 1.2 for the reaction o...
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Glycals 1 and 2 react with methoxybenzene in the presence of SnCLj forming ^-substituted C-glycosyl compounds 4 and 5 + 6 respectively. Under similar conditions l -Obenzoylor methyl pent-2-enopyranos-4-uloses (7) and (8) react with electron rich aromatic compounds furnishing either C-glycosyl compounds or C-2 aryl substituted products depending on the nature of the aromatic component as well as...
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Our computational and experimental investigation of the reaction of anisole with Cl2 in nonpolar CCl4 solution challenges two fundamental tenets of the traditional SEAr (arenium ion) mechanism of aromatic electrophilic substitution. Instead of this direct substitution process, the alternative addition-elimination (AE) pathway is favored energetically. This AE mechanism rationalizes the preferre...
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ژورنال
عنوان ژورنال: Oriental Journal of Chemistry
سال: 2016
ISSN: 0970-020X,2231-5039
DOI: 10.13005/ojc/320127