closo-[1,2,4-C5(CH3)5Co((C2H5)2C2B3Br3)] | 364069-38-5

• 英文名称: closo-[1,2,4-C5(CH3)5Co((C2H5)2C2B3Br3)]
• CAS: 364069-38-5
• 化学式: C₁₆H₂₅B₃Br₃Co
• 分子量: 548.513
• InChiKey: ZFHFSRLHJVGUPK-QEOXXEHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  closo-[1,2,4-C5(CH3)5Co((C2H5)2C2B3Br3)] 、 二氯苯酚溴酯 在 lithium-naphthalene 作用下， 以 甲苯 为溶剂， 以35%的产率得到closo-[1,2,4-C5(CH3)5Co((C2H5)2C2B4-3,5,6-Br3-7-C6H5)]
  参考文献：
  名称：

  nido↔closo Interconversion of Six-Vertex Metallacarboranes: Access to CoC2B3 and CoC2B4 Clusters with Nonadjacent Carbon Atoms

  摘要：

  Replacement of B-H hydrogen atoms with Cl or Br facilitates the previously unknown oxidative conversion of a nido- to a closo-6-vertex metallacarborane [Eq. (1); X=Cl, Br]. Oxidative cage closure, separation of carbon atoms upon thermal rearrangement, reductive cage opening, and cage expansion by boron insertion have all been applied to a single system, to afford synthetic access to new cluster types.

  DOI：

  10.1002/1521-3773(20010716)40:14<2705::aid-anie2705>3.0.co;2-j
• 作为产物：
  描述：

  closo-[1,2,3-C5(CH3)5Co((C2H5)2C2B3Br3)] 以94%的产率得到closo-[1,2,4-C5(CH3)5Co((C2H5)2C2B3Br3)]
  参考文献：
  名称：

  nido↔closo Interconversion of Six-Vertex Metallacarboranes: Access to CoC2B3 and CoC2B4 Clusters with Nonadjacent Carbon Atoms

  摘要：

  Replacement of B-H hydrogen atoms with Cl or Br facilitates the previously unknown oxidative conversion of a nido- to a closo-6-vertex metallacarborane [Eq. (1); X=Cl, Br]. Oxidative cage closure, separation of carbon atoms upon thermal rearrangement, reductive cage opening, and cage expansion by boron insertion have all been applied to a single system, to afford synthetic access to new cluster types.

  DOI：

  10.1002/1521-3773(20010716)40:14<2705::aid-anie2705>3.0.co;2-j