(E)-oximinobenzobicyclo<3.1.1>heptene | 81569-15-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (E)-oximinobenzobicyclo<3.1.1>heptene
• 英文别名: (NE)-N-(8-tricyclo[7.1.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine
• CAS: 81569-15-5
• 化学式: C₁₁H₁₁NO
• 分子量: 173.214
• InChiKey: GACSWDIRAOIDOM-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-oximinobenzobicyclo<3.1.1>heptene 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 甲醇 为溶剂， 以70%的产率得到1-aminobenzobicyclo<3.1.1>heptene
  参考文献：
  名称：

  Strained cyclobutane compounds:1H NMR analysis of a new 1-substituted benzobicyclo[3.1.1]heptene system

  摘要：

  AbstractThe 1H NMR spectra of a number of new derivatives of benzobicyclo[3.1.1]heptene were examined and interpreted by using a single set of coupling constants. All the compounds belonging to this system are in a γ‐shaped configuration. Surprisingly, two different proton‐proton spin‐spin coupling constants (4J=5.5 to 6 Hz and 8.5 Hz) were obtained for the cyclobutane ring.

  DOI：

  10.1002/mrc.1270170318
• 作为产物：
  描述：

  1-oxobenzobicyclo<3.1.1>heptene 在 盐酸羟胺 作用下， 以 乙醇 为溶剂， 以80%的产率得到(E)-oximinobenzobicyclo<3.1.1>heptene
  参考文献：
  名称：

  Strained cyclobutane compounds:1H NMR analysis of a new 1-substituted benzobicyclo[3.1.1]heptene system

  摘要：

  AbstractThe 1H NMR spectra of a number of new derivatives of benzobicyclo[3.1.1]heptene were examined and interpreted by using a single set of coupling constants. All the compounds belonging to this system are in a γ‐shaped configuration. Surprisingly, two different proton‐proton spin‐spin coupling constants (4J=5.5 to 6 Hz and 8.5 Hz) were obtained for the cyclobutane ring.

  DOI：

  10.1002/mrc.1270170318

文献信息

• Strained cyclobutane compounds:1H NMR analysis of a new 1-substituted benzobicyclo[3.1.1]heptene system
  作者：R. Escale、A. Khayat、J. P. Girard、J. C. Rossi、J. P. Chapat

  DOI：10.1002/mrc.1270170318

  日期：1981.11

  AbstractThe 1H NMR spectra of a number of new derivatives of benzobicyclo[3.1.1]heptene were examined and interpreted by using a single set of coupling constants. All the compounds belonging to this system are in a γ‐shaped configuration. Surprisingly, two different proton‐proton spin‐spin coupling constants (4J=5.5 to 6 Hz and 8.5 Hz) were obtained for the cyclobutane ring.