6-methyl-6-hydroxy[1(2,3)4]pentamantane | 1167987-91-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-methyl-6-hydroxy[1(2,3)4]pentamantane
• CAS: 1167987-91-8
• 化学式: C₂₇H₃₄O
• 分子量: 374.566
• InChiKey: YIRSCHQOOXASLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  28.0
• 可旋转键数：
  0.0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  6-methyl-6-hydroxy[1(2,3)4]pentamantane 在 三氟过氧乙酸 、 三氟乙酸 作用下， 反应 2.0h， 以90%的产率得到6-oxa[1(2,3)4]pentamantane
  参考文献：
  名称：

  Oxygen-Doped Nanodiamonds: Synthesis and Functionalizations

  摘要：

  Oxadiamondoids representing a new class of carbon nanoparticles were prepared from the respective diamondoid ketones via an effective two-step procedure involving addition of methyl magnesium iodide and oxidation with trifluoroperacetic acid in trifluoroacetic acid. The reactivities of the oxacages are determined by the position of the dopant and are in good agreement with computational predictions.

  DOI：

  10.1021/ol901089h
• 作为产物：
  描述：

  甲基碘化镁 、 [1(2,3)4]pentamantane-6-one 以 乙醚 为溶剂， 反应 4.0h， 以95%的产率得到6-methyl-6-hydroxy[1(2,3)4]pentamantane
  参考文献：
  名称：

  Oxygen-Doped Nanodiamonds: Synthesis and Functionalizations

  摘要：

  Oxadiamondoids representing a new class of carbon nanoparticles were prepared from the respective diamondoid ketones via an effective two-step procedure involving addition of methyl magnesium iodide and oxidation with trifluoroperacetic acid in trifluoroacetic acid. The reactivities of the oxacages are determined by the position of the dopant and are in good agreement with computational predictions.

  DOI：

  10.1021/ol901089h