(C6H3-2,6-(C6H2-2,4,6-(CH3)3)2)2Ge(tert-butyl isocyanide) | 1361124-92-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (C6H3-2,6-(C6H2-2,4,6-(CH3)3)2)2Ge(tert-butyl isocyanide)
• CAS: 1361124-92-6
• 化学式: C₅₃H₅₉GeN
• 分子量: 782.648
• InChiKey: KQMBOCWAERFFLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (C6H3-2,6-(C6H2-2,4,6-(CH3)3)2)2Ge(tert-butyl isocyanide) 以 not given 为溶剂， 生成 Ge(C₆H₃-2,6-(C₆H₂-2,4,6-(CH₃)₃)₂)₂
  参考文献：
  名称：

  A Germanium Isocyanide Complex Featuring (n → π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C–H Bond Activation under Mild Conditions

  摘要：

  Reaction of the diarylgermylene Ge(Ar-Me6)(2) [Ar-Me6 = C6H3-2,6-(C6H2-2,4,6-(CH3)(3))(2)] with tert-butyl isocyanide gave the Lewis adduct species (Ar-Me6)(2)GeCNBut, in which the isocyanide ligand displays a decreased C-N stretching frequency consistent with an n --> pi* back-bonding interaction. Density functional theory confirmed that the HOMO is a Ge-C bonding combination between the lone pair of electrons on the germanium atom and the C-N pi* orbital of the isocyanide ligand. The complex undergoes facile C-H bond activation to produce a new diarylgermanium hydride/cyanide species and isobutene via heterolytic cleavage of the N-Bu-t bond.

  DOI：

  10.1021/ja211874u
• 作为产物：
  描述：

  Ge(C₆H₃-2,6-(C₆H₂-2,4,6-(CH₃)₃)₂)₂ 、 异氰酸叔丁酯 以 正己烷 为溶剂， 生成 (C6H3-2,6-(C6H2-2,4,6-(CH3)3)2)2Ge(tert-butyl isocyanide)
  参考文献：
  名称：

  A Germanium Isocyanide Complex Featuring (n → π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C–H Bond Activation under Mild Conditions

  摘要：

  Reaction of the diarylgermylene Ge(Ar-Me6)(2) [Ar-Me6 = C6H3-2,6-(C6H2-2,4,6-(CH3)(3))(2)] with tert-butyl isocyanide gave the Lewis adduct species (Ar-Me6)(2)GeCNBut, in which the isocyanide ligand displays a decreased C-N stretching frequency consistent with an n --> pi* back-bonding interaction. Density functional theory confirmed that the HOMO is a Ge-C bonding combination between the lone pair of electrons on the germanium atom and the C-N pi* orbital of the isocyanide ligand. The complex undergoes facile C-H bond activation to produce a new diarylgermanium hydride/cyanide species and isobutene via heterolytic cleavage of the N-Bu-t bond.

  DOI：

  10.1021/ja211874u