19,25-Dimethoxyhexacyclo[22.3.1.116,20.02,15.04,13.06,11]nonacosa-1(28),2,4(13),6,8,10,14,16(29),17,19,24,26-dodecaene-5,12-dione | 832688-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 19,25-Dimethoxyhexacyclo[22.3.1.116,20.02,15.04,13.06,11]nonacosa-1(28),2,4(13),6,8,10,14,16(29),17,19,24,26-dodecaene-5,12-dione
• CAS: 832688-75-2
• 化学式: C₃₁H₂₄O₄
• 分子量: 460.529
• InChiKey: WXGICWAPRCPWRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  19,25-Dimethoxyhexacyclo[22.3.1.116,20.02,15.04,13.06,11]nonacosa-1(28),2,4(13),6,8,10,14,16(29),17,19,24,26-dodecaene-5,12-dione 在 三氯化铁 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以92%的产率得到19,25-Dimethoxyheptacyclo[14.11.2.02,15.04,13.06,11.020,29.024,28]nonacosa-1(28),2,4(13),6,8,10,14,16(29),17,19,24,26-dodecaene-5,12-dione
  参考文献：
  名称：

  Synthesis and Diels−Alder Reactions of 1,2-Dimethylene[2.n]metacyclophanes

  摘要：

  The Diels-Alder reaction of 1,2-dimethylene[2.n]MCPs (MCP = metacyclophane) with suitable dienophiles followed by aromatization and photoincluced or FeCl3-induced transannular cyclization afforded phenanthrene-anellated polycyclic aromatic hydrocarbons, which were found to adopt helical chirality in the solid state.

  DOI：

  10.1021/ol0483403
• 作为产物：
  描述：

  1,2-dimethylene-6,13-dimethoxy[2.3]metacyclophane 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 生成 19,25-Dimethoxyhexacyclo[22.3.1.116,20.02,15.04,13.06,11]nonacosa-1(28),2,4(13),6,8,10,14,16(29),17,19,24,26-dodecaene-5,12-dione
  参考文献：
  名称：

  Synthesis and Diels−Alder Reactions of 1,2-Dimethylene[2.n]metacyclophanes

  摘要：

  The Diels-Alder reaction of 1,2-dimethylene[2.n]MCPs (MCP = metacyclophane) with suitable dienophiles followed by aromatization and photoincluced or FeCl3-induced transannular cyclization afforded phenanthrene-anellated polycyclic aromatic hydrocarbons, which were found to adopt helical chirality in the solid state.

  DOI：

  10.1021/ol0483403