Synthesis and molecular structure of 7<Emphasis Type="Italic">H</Emphasis>-12-oxa-3,7-diazapleiadene-substituted 1,3-tropolones |
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| Authors: | S M Aldoshin Yu A Sayapin Zyong Ngia Bang I O Bondareva V N Komissarov I V Dorogan V V Tkachev G V Shilov V I Minkin |
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| Institution: | 1.Institute of Problems of Chemical Physics,Russian Academy of Sciences,Chernogolovka, Moscow Region,Russian Federation;2.Institute of Physical and Organic Chemistry at the Southern Federal University,Rostov on Don,Russian Federation;3.Southern Research Center,Russian Academy of Sciences,Rostov on Don,Russian Federation |
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| Abstract: | An acid-catalyzed reaction of substituted 2-methyl-7H-12-oxa-3,7-diazapleiadenes with 1,2-benzoquinones leads to 7H-12-oxa-3,7-diazapleiadene-substituted 1,3-tropolones. Molecular structure of 5,7-di(tert-butyl)-2-9,11-di(tert-butyl)-4-methyl-7H-12-oxa-3,7-diazapleiaden-2-yl]-4-nitro-1,3-tropolone was established by X-ray crystallography. Energy and structural characteristics
of isomeric 5,7-di(tert-butyl)-2-9,11-di(tert-butyl)-4-methyl-7H-12-oxa-3,7-diazapleiaden-2-yl]-4-nitro-1,3-tropolones in the gaseous phase and a polar solution were studied by the PBE0/6-31G**
method. |
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