2,6-di-tert-butyl-N-<8-(tosylamino)-1-naphthyl>-p-benzoquinone imine | 137438-58-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-di-tert-butyl-N-<8-(tosylamino)-1-naphthyl>-p-benzoquinone imine
• 英文别名: 2,6-di-tert-butyl-1,4-benzoquinone-4-N-(8-tosylamino-1-naphthyl)imine；2,6-di-t-butyl-N-{8-(tosylamino)-1-naphthyl}-p-benzoquinone imine；N-[8-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]naphthalen-1-yl]-4-methylbenzenesulfonamide
• CAS: 137438-58-5
• 化学式: C₃₁H₃₄N₂O₃S
• 分子量: 514.689
• InChiKey: LKDUQYKRNINIBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.55
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.6
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  nickel diacetate 、 2,6-di-tert-butyl-N-<8-(tosylamino)-1-naphthyl>-p-benzoquinone imine 以 乙醇 为溶剂， 以60%的产率得到[8-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]naphthalen-1-yl]-(4-methylphenyl)sulfonylazanide;nickel(2+)
  参考文献：
  名称：

  Garnovskii, A. D.; Olekhnovich, L. P.; Alekseenko, V. A., Journal of general chemistry of the USSR, 1990, vol. 60, p. 1715 - 1716

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 作用下， 以70%的产率得到2,6-di-tert-butyl-N-<8-(tosylamino)-1-naphthyl>-p-benzoquinone imine
  参考文献：
  名称：

  Garnovskii, A. D.; Olekhnovich, L. P.; Alekseenko, V. A., Journal of general chemistry of the USSR, 1990, vol. 60, # 8.2., p. 1715 - 1716

  摘要：

  DOI：

文献信息

• Garnovskii, A. D.; Lukova, O. A.; Alekseenko, V. A., Russian Journal of Inorganic Chemistry, 1992, vol. 37, p. 653 - 656
  作者：Garnovskii, A. D.、Lukova, O. A.、Alekseenko, V. A.、Komissarov, V. N.、Litvinov, V. V.、Kharabaev, N. N.

  DOI：——

  日期：——
• Synthesis and structure of 2,6-di-tert-butyl-1,4-benzoquinone-4N-(8-tosylamino-1-naphthyl) imine
  作者：S. M. Aldoshin、M. A. Novozhilova、L. O. Atovmyan、V. N. Komissarov、L. Yu. Ukhin、V. A. Kharlanov

  DOI：10.1007/bf01172258

  日期：1991.8

  The structure of 2,6-di-tert-butyl-1,4-benzoquinone-4-N-(8-tosylamino-1-naphthyl)imine (IId) has been studied as a model for the open form of thermo- and photochromic compounds in the cyclohexadienoneperimidine series (I), in which rearrangement occurs due to C(spiro)-N bond cleavage and N --> N proton transfer upon thermal or photoexcitation. Introduction of a bulky, electron-withdrawing tosyl substituent to the nitrogen atom stabilizes the open quinoneimine form, both in the crystalline state and in solution. The cyclohexadienone fragment is nonplanar and exists in a "boat" configuration. The open quinoneimine structure is retained upon replacement of the tosyl substituent by a less bulky electron-withdrawing acetyl substituent, suggesting that electronic factors are decisive in formation of the open structure.
• GARNOVSKIJ, A. D.;OLEXNOVICH, L. P.;ALEKSEENKO, V. A.;LUKOVA, O. A.;KOMIS+, ZH. OBSHCH. XIMII, 60,(1990) N, S. 1920-1921
  作者：GARNOVSKIJ, A. D.、OLEXNOVICH, L. P.、ALEKSEENKO, V. A.、LUKOVA, O. A.、KOMIS+

  DOI：——

  日期：——