| 1025015-52-4

• 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
• CAS: 1025015-52-4
• 化学式: C₇₆H₃₈ClNO₁₀
• 分子量: 1160.59
• InChiKey: YUXLKYBNCFEJEP-YXPGCKMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.45
• 重原子数：
  88.0
• 可旋转键数：
  8.0
• 环数：
  30.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  120.01
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 0.02h， 以79%的产率得到
  参考文献：
  名称：

  Towards the Rational Synthesis of Norfullerenes. Controlled Deletion of One Carbon Atom from C₆₀ and Preparation of 2,5,9-Trioxo-1-nor(C₆₀-I_h)[5,6]fullerene C₅₉(O)₃ Derivatives

  摘要：

  Norfullerenes are fullerene-like compounds (fulleroids) resulting from partial deletion of fullerene skeleton carbons. The one carbon less norfullerene C-59(O)(3) derivatives having three carbonyl groups on the rim of the orifice are prepared through peroxide-mediated reactions. A key step involves a novel PCI5 initiated rearrangement of a hydroxyl amine adduct. Decarboxylation serves as the carbon removal step.

  DOI：

  10.1021/ol800611r
• 作为产物：
  描述：

  在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以31%的产率得到
  参考文献：
  名称：

  Towards the Rational Synthesis of Norfullerenes. Controlled Deletion of One Carbon Atom from C₆₀ and Preparation of 2,5,9-Trioxo-1-nor(C₆₀-I_h)[5,6]fullerene C₅₉(O)₃ Derivatives

  摘要：

  Norfullerenes are fullerene-like compounds (fulleroids) resulting from partial deletion of fullerene skeleton carbons. The one carbon less norfullerene C-59(O)(3) derivatives having three carbonyl groups on the rim of the orifice are prepared through peroxide-mediated reactions. A key step involves a novel PCI5 initiated rearrangement of a hydroxyl amine adduct. Decarboxylation serves as the carbon removal step.

  DOI：

  10.1021/ol800611r