3-biphenyl-1,2-dicarba-closo-dodecaborane | 392250-97-4

• 英文名称: 3-biphenyl-1,2-dicarba-closo-dodecaborane
• CAS: 392250-97-4
• 化学式: C₁₄H₂₀B₁₀
• 分子量: 296.423
• InChiKey: QFPHVWHXFYDLAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  3-iodo-o-carborane 、 2-BIPHENYLMAGNESIUM BROMIDE 在 [PdCl₂(PPh₃)2] 、 CuI 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到3-biphenyl-1,2-dicarba-closo-dodecaborane
  参考文献：
  名称：

  Are Halocarboranes Suitable for Substitution Reactions? The Case for 3-I-1,2-closo-C₂B₁₀H₁₁:  Molecular Orbital Calculations, Aryldehalogenation Reactions, ¹¹B NMR Interpretation of closo-Carboranes, and Molecular Structures of 1-Ph-3-Br-1,2-closo-C₂B₁₀H₁₀ and 3-Ph-1,2-closo-C₂B₁₀H₁₁

  摘要：

  In this paper, the chemistry of 3-X-1,2-closo-C2B10H11 (X = halogen) derivatives is extended. Molecular orbital and B-11 and C-13 NMR calculations on these species are presented. A qualitative interpretation of the B-11 NMR spectra of closo o-carborane derivatives is also provided. The synthesis of 3-X-1-R-o-carborane (X = I, Br and R = Me, Ph) derivatives is reported, and aryldehalogenation at the B3 position is reported for the first time. The molecular and crystal structures of 1-phenyl-3-bromo-1,2-dicarba-closo-dodecaborane and 3-phenyl-1,2-dicarba-closo-dodecaborane are described.

  DOI：

  10.1021/ic010493o