| 1170316-79-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1170316-79-6
• 化学式: C₆₉H₂₄O
• 分子量: 868.949
• InChiKey: QCFSBFBNZVSSRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.54
• 重原子数：
  70.0
• 可旋转键数：
  4.0
• 环数：
  32.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 甲基丙烯酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Ring-opening reaction of tetrahydrofuran on the penta(organo)[60]fullerenes: synthesis of hydroxybutyl, methacrylate, and norbornene derivatives

  摘要：

  Ring-opening reaction of tetrahydrofuran takes place on penta(methyl)- and penta(n-butylphenyl)[60]fullerenes in the presence of chlorotrimethylsilane giving penta(organo)fullerene hydroxybutyl derivatives, C60R5(C4H8OH) (R = Me, (BuC6H4)-Bu-n). The hydroxyl groups were further transformed into methacrylate and norbornylcarbonyloxy groups via esterification with the corresponding acid chlorides. The methacrylate derivative, penta(methyl)[60]fullerenylbutyl methacrylates was crystallographically characterized. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.155
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 、 邻二氯苯 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Ring-opening reaction of tetrahydrofuran on the penta(organo)[60]fullerenes: synthesis of hydroxybutyl, methacrylate, and norbornene derivatives

  摘要：

  Ring-opening reaction of tetrahydrofuran takes place on penta(methyl)- and penta(n-butylphenyl)[60]fullerenes in the presence of chlorotrimethylsilane giving penta(organo)fullerene hydroxybutyl derivatives, C60R5(C4H8OH) (R = Me, (BuC6H4)-Bu-n). The hydroxyl groups were further transformed into methacrylate and norbornylcarbonyloxy groups via esterification with the corresponding acid chlorides. The methacrylate derivative, penta(methyl)[60]fullerenylbutyl methacrylates was crystallographically characterized. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.155