5,6,11,12-tetrahydro-5,12-[1,2]benzenodibenzo[a,e][8]annulene-1,4,8,9-tetraol | 136794-02-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5,6,11,12-tetrahydro-5,12-[1,2]benzenodibenzo[a,e][8]annulene-1,4,8,9-tetraol
• CAS: 136794-02-0
• 化学式: C₂₂H₁₈O₄
• 分子量: 346.383
• InChiKey: WXUCMJISSXNSSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  26.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  80.92
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5,6,11,12-tetrahydro-5,12-[1,2]benzenodibenzo[a,e][8]annulene-1,4,8,9-tetraol 在 三氯化铁 作用下， 生成 5,6-dihydroxypentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),13,17,19,21-octaene-12,15-dione
  参考文献：
  名称：

  Synthesis and structure of 1,10-o-benzeno[2.2]orthocyclophane-5,6,12,15-diquinone. An experimental evidence for attractive interaction between o- and p-benzoquinone

  摘要：

  The title compound (2) was synthesized by cycloaddition of 4,5-dimethoxybenzocyclobutene and 1,4-diacetoxyanthracene and subsequent hydrolysis followed by oxidations. The syn conformer of 2 was proven to be more stable than anti implying that through space interaction between o- and p-benzoquinone is attractive.

  DOI：

  10.1016/s0040-4039(00)79717-6
• 作为产物：
  描述：

  5,6-Dimethoxy-12,15-diacetoxy-1,10-o-benzeno<2,2>orthocyclophane 在 三溴化硼 作用下， 生成 5,6,11,12-tetrahydro-5,12-[1,2]benzenodibenzo[a,e][8]annulene-1,4,8,9-tetraol
  参考文献：
  名称：

  Synthesis and structure of 1,10-o-benzeno[2.2]orthocyclophane-5,6,12,15-diquinone. An experimental evidence for attractive interaction between o- and p-benzoquinone

  摘要：

  The title compound (2) was synthesized by cycloaddition of 4,5-dimethoxybenzocyclobutene and 1,4-diacetoxyanthracene and subsequent hydrolysis followed by oxidations. The syn conformer of 2 was proven to be more stable than anti implying that through space interaction between o- and p-benzoquinone is attractive.

  DOI：

  10.1016/s0040-4039(00)79717-6