6-bromo-3-oxadiamantane | 1167987-97-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 6-bromo-3-oxadiamantane
• 英文别名: 6-Bromo-3-oxadiamantane；6-bromo-3-oxapentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
• CAS: 1167987-97-4
• 化学式: C₁₃H₁₇BrO
• 分子量: 269.181
• InChiKey: IPFVPFOUCHTVPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-bromo-3-oxadiamantane 在 水 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 以100%的产率得到6-hydroxy-3-oxadiamantane
  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：

  3-oxadiamantane 在 溴 作用下， 以96%的产率得到6-bromo-3-oxadiamantane
  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