| 1224852-70-3

• CAS: 1224852-70-3
• 化学式: C₃₈H₅₂FeN₆Si₂U
• 分子量: 948.87
• InChiKey: NUCCDODXUDEGRR-LDGMSUNRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 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

• 作为产物：
  描述：

  (1,1′-ferrocenediyl(NSi^tBuMe₂)₂)U(CH₂Ph)₂ 、 1-methyl-d3-benzimidazole 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Reversible C−C Coupling in a Uranium Biheterocyclic Complex

  摘要：

  The C-C coupling of two molecules of 1-methylbenzimidazole was effected by a neutral uranium dibenzyl complex supported by a ferrocene 1,1'-diamide ligand. The transformation involves the C-H activation of two heterocycles and the coupling of one eta(2)-N,C-imidazolyl fragment with a coordinated 1-methylbenzimidazole ligand. The solid-state structure of this product was studied by both single-crystal and powder X-ray diffraction methods and confirms the formation of the biheterocyclic moiety. In solution, the C-C coupling event was found to be reversible, as assessed by variable-temperature H-1 and H-2 NMR spectroscopy as well as DFT calculations and reactivity studies.

  DOI：

  10.1021/ja9109715