| 1135910-69-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• CAS: 1135910-69-8
• 化学式: C₂₅H₂₆O₉
• 分子量: 470.476
• InChiKey: UIRUMGKPSPDAAG-UHFFFAOYSA-N

物化性质

• 沸点：
  714.8±60.0 °C(predicted)
• 密度：
  1.374±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.33
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  128.59
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  以1.2 g的产率得到5,6,14,15-Tetramethoxytetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-19-one
  参考文献：
  名称：

  Molecular Actuator: Redox-Controlled Clam-Like Motion in a Bichromophoric Electron Donor

  摘要：

  The one-electron oxidation of tetra methoxydibenzobicyclo[4.4.1]undecane (4) prompts it to undergo a clam-like electromechanical actuation into a cofacially pi-stacked conformer as established by (1) electrochemical analysis, (ii) by the observation of the intense charge-resonance transition in the near IR region in its cation radical spectrum, and (iii) by X-ray crystallographic characterization of the isolated cation radical salt (4(+center dot) SbCl6-).

  DOI：

  10.1021/ol900371m
• 作为产物：
  描述：

  dimethyl 2,3,9,10-tetramethoxy-15-oxo-5,7,12,14-tetrahydro-6,13-methanodibenzo[a,f][10]annulene-6,13-dicarboxylate 在 氢氧化钾 、 水 、 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.5h， 以98%的产率得到
  参考文献：
  名称：

  Molecular Actuator: Redox-Controlled Clam-Like Motion in a Bichromophoric Electron Donor

  摘要：

  The one-electron oxidation of tetra methoxydibenzobicyclo[4.4.1]undecane (4) prompts it to undergo a clam-like electromechanical actuation into a cofacially pi-stacked conformer as established by (1) electrochemical analysis, (ii) by the observation of the intense charge-resonance transition in the near IR region in its cation radical spectrum, and (iii) by X-ray crystallographic characterization of the isolated cation radical salt (4(+center dot) SbCl6-).

  DOI：

  10.1021/ol900371m