Synthesis and molecular structure of 3-[5-(quinolin-2-yl)penta-1,4-dien-1-yl]-1,4-benzodioxin-2-one View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2013-03

AUTHORS

V. V. Tkachev, Yu. A. Sayapin, I. V. Dorogan, V. S. Gorkovets, A. A. Kolodina, V. N. Komissarov, G. V. Shilov, S. M. Aldoshin, V. I. Minkin

ABSTRACT

Acid-catalyzed reaction of 6,10a-dihydroxy-3,4a,7,9-tetra(tert-butyl)-1,2,4a,10a-tetrahydrodibenzo-[b,e][1,4]dioxine-1,2-dione with 4-chloro-2,7,8-trimethylquinoline gave previously unknown 3,6,8-tri-tert-butyl-3-[2-tert-butyl-5-(4-chloro-7,8-dimethylquinolin-2-yl)-4-hydroxy-3-oxopenta-1,4-dien-1-yl]-5-hydroxy-1,4-benzodioxin-2-one whose structure was determined by X-ray analysis. The energy and structure parameters of possible isomers of the product in the gas phase and in solution were estimated by PBE0/6-31G** quantum-chemical calculations.

PAGES

439-445

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070428013030214

DOI

http://dx.doi.org/10.1134/s1070428013030214

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1040807260


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163 schema:name Institute of Chemical Physics Problems, Russian Academy of Sciences, pr. Akad. N.N. Semenova 1, 142432, Chernogolovka, Moscow oblast, Russia
164 rdf:type schema:Organization
 




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