3,4,6,7-tetrachloro-5,5-dimethoxy-11,14-dimethyleneheptacyclo<7.6.1.0^2,8.0^3,7.0^4.13.0^6,12.0^10,15>hexadecane | 138537-16-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,4,6,7-tetrachloro-5,5-dimethoxy-11,14-dimethyleneheptacyclo<7.6.1.0^2,8.0^3,7.0^4.13.0^6,12.0^10,15>hexadecane
• 英文别名: 1,2,8,9-tetrachloro-16,16-dimethoxy-11,14-dimethylideneheptacyclo[7.6.1.02,8.03,7.04,13.06,12.010,15]hexadecane
• CAS: 138537-16-3
• 化学式: C₂₀H₂₀Cl₄O₂
• 分子量: 434.19
• InChiKey: POPKGKGACGBUEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4,6,7-tetrachloro-5,5-dimethoxy-11,14-dimethyleneheptacyclo<7.6.1.0^2,8.0^3,7.0^4.13.0^6,12.0^10,15>hexadecane 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 6.0h， 以66%的产率得到3,4,6,7-tetrachloro-5,5-dimethoxy-11,14-dimethylheptacyclo<7.6.1.0^2,8.0^3,7.0^4.13.0^6,12.0^10,15>hexadecane
  参考文献：
  名称：

  Synthetic studies towards prismanes: Exploratory efforts en route to [7]-prismane homo- and secologues

  摘要：

  Novel heptacyclic triones 8 and 9 have been synthesised. A series of probing experiments on the heptacyclic ketones 3, 8 and 9, in quest for [7]-prismane homo- and secologues are described. Synthesis of novel polyhedranes 23-25 through thermal 2 + 2-cycloreversion of 3, 8 and 17, respectively, has been achieved. Our results point to the need for devising de novo strategy for the creation of higher prismanic frameworks.

  DOI：

  10.1016/s0040-4020(01)81938-4
• 作为产物：
  描述：

  甲基三苯基溴化膦 、 3,4,6,7-tetrachloro-5,5-dimethoxyheptacyclo<7.6.1.0^2,8.0^3,7.0^4.13.0^6,12.0^10,15>hexadeca-11,14-dione 在 乙基-异丙基醚 作用下， 生成 3,4,6,7-tetrachloro-5,5-dimethoxy-11,14-dimethyleneheptacyclo<7.6.1.0^2,8.0^3,7.0^4.13.0^6,12.0^10,15>hexadecane
  参考文献：
  名称：

  Synthetic studies towards prismanes: Exploratory efforts en route to [7]-prismane homo- and secologues

  摘要：

  Novel heptacyclic triones 8 and 9 have been synthesised. A series of probing experiments on the heptacyclic ketones 3, 8 and 9, in quest for [7]-prismane homo- and secologues are described. Synthesis of novel polyhedranes 23-25 through thermal 2 + 2-cycloreversion of 3, 8 and 17, respectively, has been achieved. Our results point to the need for devising de novo strategy for the creation of higher prismanic frameworks.

  DOI：

  10.1016/s0040-4020(01)81938-4