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Synthesis and molecular structure of 7H-12-oxa-3,7-diazapleiadene-substituted 1,3-tropolones

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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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Authors and Affiliations

  1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, 1 prosp. Akad. Semenova, 142432, Chernogolovka, Moscow Region, Russian Federation

    S. M. Aldoshin, V. V. Tkachev & G. V. Shilov

  2. Institute of Physical and Organic Chemistry at the Southern Federal University, 194/2 prosp. Stachki, 344090, Rostov on Don, Russian Federation

    Yu. A. Sayapin & V. I. Minkin

  3. Southern Research Center, Russian Academy of Sciences, 41 ul. Chekhova, 344006, Rostov on Don, Russian Federation

    Zyong Ngia Bang, I. O. Bondareva, V. N. Komissarov, I. V. Dorogan & V. I. Minkin

Authors
  1. S. M. Aldoshin
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  2. Yu. A. Sayapin
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  3. Zyong Ngia Bang
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  4. I. O. Bondareva
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  5. V. N. Komissarov
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  6. I. V. Dorogan
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  7. V. V. Tkachev
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  8. G. V. Shilov
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  9. V. I. Minkin
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Corresponding author

Correspondence to Yu. A. Sayapin.

Additional information

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1350–1357, July, 2011.

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Aldoshin, S.M., Sayapin, Y.A., Bang, Z.N. et al. Synthesis and molecular structure of 7H-12-oxa-3,7-diazapleiadene-substituted 1,3-tropolones. Russ Chem Bull 60, 1372–1379 (2011). https://doi.org/10.1007/s11172-011-0205-9

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  • DOI: https://doi.org/10.1007/s11172-011-0205-9

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