1,8-bis(di-n-butylgermyl)naphthalene | 1578224-45-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,8-bis(di-n-butylgermyl)naphthalene
• CAS: 1578224-45-9
• 化学式: C₂₆H₄₄Ge₂
• 分子量: 501.815
• InChiKey: KSRVYENZZGZEIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.91
• 重原子数：
  28.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,8-bis(di-n-butylgermyl)naphthalene 、 三苯碳四(五氟苯基)硼酸盐 以 苯 为溶剂， 反应 0.5h， 以77%的产率得到
  参考文献：
  名称：

  Hydrogen-Bridged Digermyl and Germylsilyl Cations

  摘要：

  The synthesis of the digermyl and germylsilyl hydronium borates 7[B(C6F5)(4)] and 8[B(C6F5)(4)] is reported. Spectroscopic (IR, NMR) and structural data supported by the results of density functional calculations indicate in both cases a symmetric or almost symmetric E-H-E' three-center-two-electron linkage (7, E = E' = Ge; 8, E = Si, E' = Ge). The [B(C6F5)(4)](-) and the [HCB11H5Br6](-). salts of both cations are active in catalytic hydrodefluorination reactions of alkyl and benzyl fluorides. No significant effect of the element atom E on the determined turnover numbers was found.

  DOI：

  10.1021/om500154n
• 作为产物：
  描述：

  di-n-butylchlorogermane 、 1,8-二碘萘 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 1.5h， 以96%的产率得到1,8-bis(di-n-butylgermyl)naphthalene
  参考文献：
  名称：

  Hydrogen-Bridged Digermyl and Germylsilyl Cations

  摘要：

  The synthesis of the digermyl and germylsilyl hydronium borates 7[B(C6F5)(4)] and 8[B(C6F5)(4)] is reported. Spectroscopic (IR, NMR) and structural data supported by the results of density functional calculations indicate in both cases a symmetric or almost symmetric E-H-E' three-center-two-electron linkage (7, E = E' = Ge; 8, E = Si, E' = Ge). The [B(C6F5)(4)](-) and the [HCB11H5Br6](-). salts of both cations are active in catalytic hydrodefluorination reactions of alkyl and benzyl fluorides. No significant effect of the element atom E on the determined turnover numbers was found.

  DOI：

  10.1021/om500154n