Interaction between aliphatic and aromatic nitro compounds in basic media
نویسندگان
چکیده
منابع مشابه
Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compounds.
The chemical mechanisms involved in the decomposition of trinitroethyl compounds were studied for both aliphatic and aromatic derivatives using density functional theory calculations. At first, in the case of 1,1,1-trinitrobutane, used as a reference molecule, two primary channels were highlighted among the five investigated ones: the breaking of the C-N bond and the HONO elimination. Then, the...
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We present improved correlations between theoretical and experimental determination of heat of formation of some aliphatic nitro compounds. The method is based on a previously given theoretical procedure, which is ameliorate through the introduction of suitable bond parameters. The comparison with available experimental data and previous theoretical estimation show a quite satisfactory improvem...
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Heats of formation of energetic materials can be obtained either experimentally or theoretically. In order to compare the results of the two methods, some correlation methods were proposed in this study. The molecular structures and heats of formation of nitrobenzenes, nitrotoluenes, nitroanilines, and nitrophenols were calculated by Dewar's AMI and Stewart's PM3 methods. Correlations of heats ...
متن کامل[Reduction of aromatic nitro compounds in the intestine].
An ortho-nitrophenol solution was injected into the intestine which had been removed from an anesthetized mouse by placing a ligature at the duodenum and at the rectum. The intestine was then incubated in Ringer's solution at 37•Ž and the ortho-nitrophenol was found to be reduced to ortho aminophenol. At the same time, it was found that ortho-nitrophenol which was incubated with the intestinal ...
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An efficient one-pot reductive acetylation of aromatic nitro compounds is developed without isolating the intermediate amine. The nitro compound is efficiently reduced by sodium borohydride and catalytic amount of Pd-C in MeOH-water media in presence / absence of alkali, and the amine thus generated is acetylated by acetic anhydride in situ in excellent yields through easy work-up. The techniqu...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1968
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v68-505