Tautomerism of 2-Azido-1, 3, 4-Thiadiazole Studied by Theoretical Methods in Gas Phase and Solution
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چکیده
منابع مشابه
Synthesis and Leishmanicidal Activity of 1-[5-(5-nitrofuran-2-yl)-1, 3, 4-thiadiazole-2-yl]-4-benzoylepiperazines
A series of (5-nitrofuran-2-yl)-1, 3, 4-thiadiazole-2-yl derivatives 6a–6e have been synthesized and screened for in vitro anti-leishmanial activity against the promastigote form of L. major. The structure of Schiff bases were confirmed by 1H NMR, IR. Screening results indicate that all of the designed and synthesized final compounds (6a-6e) significantly reduced the viability of promastigotes ...
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A series of (5-nitrofuran-2-yl)-1, 3, 4-thiadiazole-2-yl derivatives 6a–6e have been synthesized and screened for in vitro anti-leishmanial activity against the promastigote form of L. major. The structure of Schiff bases were confirmed by 1H NMR, IR. Screening results indicate that all of the designed and synthesized final compounds (6a-6e) significantly reduced the viability of promastigotes ...
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The relative stability of the different tautomers of hydantoin has been studied through the use of DFT method. The structures and the vibrational frequencies of all stable tautomers and all the transitions states connecting between them have been calculated at the B3LYP/6-311+G(d,p) level of theory in the gas phase and selected solvents using IE-PCM model. Final energies have been obtained in s...
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Reaction of thionyl chloride with 2-acetyl-1- benzenesulfonylpyrrole semicarbazone (6 c) gave 4 - (1- benzenesulfonyl-2 - pyrrolyl) - 1, 2, 3 -thiadiazole (lc). Selenium dioxide oxidation of 2-acetylpyrazine semicarbazone (10) in acetic acid afforded 4- (2-pyrazinyl) - 1, 2, 3- selenadiazole (4). Reaction of thionyl chloride with compound 10 gave 4- (2-pyrazinyl) - 1, 2, 3- thiadiazole (3)....
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BACKGROUND The title compound belongs to the class of bis-azomethine pigments. On the basis of comparative studies on similar structures, insight into the complex excited state dynamics of such compounds has been gained. It has been shown, for example, that only compounds that possess hydroxyl groups are fluorescent, and that the possibility for cis-trans isomerisation and/or bending motions of...
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ژورنال
عنوان ژورنال: Science Innovation
سال: 2015
ISSN: 2328-7861
DOI: 10.11648/j.si.20150306.21