Synthesis and structure of 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolone derivatives

A synthetic procedure towards 4,6-diisopropyl-3-nitro-1,2-benzoquinone was elaborated. Based on this benzoquinone, a series of novel 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolones and 5,7diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones were derived. Molecular structure of 2-(4-chloro-8-methylq...

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Bibliographic Details
Published in:Russian chemical bulletin 2016-10, Vol.65 (10), p.2461-2468
Main Authors: Sayapin, Yu. A., Duong, Nghia Bang, Gusakov, E. A., Dorogan, I. V., Tkachev, V. V., Gorkovets, V. S., Komissarov, V. N., Duong, Ngoc Toan, Nguyen, Dang Duc, Shilov, G. V., Aldoshin, S. M., Minkin, V. I.
Format: Article
Language:English
Subjects:
Benzoquinone
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
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Inorganic Chemistry
Molecular structure
Organic Chemistry
Quantum chemistry
Vapor phases
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Summary:A synthetic procedure towards 4,6-diisopropyl-3-nitro-1,2-benzoquinone was elaborated. Based on this benzoquinone, a series of novel 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolones and 5,7diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones were derived. Molecular structure of 2-(4-chloro-8-methylquinolin-2-yl)-5,7-diisopropyl-1,3-tropolone was established by X-ray diffraction analysis. Energetic and structural characteristics of isomeric 5,7-diisopropyl-2-(quinolin-2yl)-1,3-tropolones and 5,7-diisopropyl-2-(quinolin-2-yl)-4-nitro-1,3-tropolones in the gas phase and in the polar solvent were calculated by quantum chemistry method (PBE0/6-311+G(d,p)).
ISSN:1066-5285
1573-9171
DOI:10.1007/s11172-016-1607-5