(1,1'-fc(NSitBuMe2)2)(uranium)(η(2)-N,C-1-methylimidazole(-1H))2 | 1224852-66-7

• 英文名称: (1,1'-fc(NSitBuMe2)2)(uranium)(η(2)-N,C-1-methylimidazole(-1H))2
• CAS: 1224852-66-7
• 化学式: C₃₀H₄₈FeN₆Si₂U
• 分子量: 842.798
• InChiKey: KMIUAJIJDBKHLG-UHFFFAOYSA-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：

  N-甲基咪唑 、 (1,1′-ferrocenediyl(NSi^tBuMe₂)₂)U(CH₂Ph)₂ 以 benzene-d6 为溶剂， 生成 (1,1'-fc(NSitBuMe2)2)(uranium)(η(2)-N,C-1-methylimidazole(-1H))2
  参考文献：
  名称：

  超越C吗？用铀激活H：由铀二烷基络合物介导的级联反应

  摘要：

  中性铀二苄基络合物介导两个芳族N杂环的CH活化，随后发生级联反应，导致咪唑环的打开和功能化（参见方案）。这种双CH活化及其后的转化顺序是铀独有的，并指出该元素可用于裂解其他强碳-杂原子键。

  DOI：

  10.1002/anie.200903270

文献信息

• Reversible C−C Coupling in a Uranium Biheterocyclic Complex
  作者：Marisa J. Monreal、Paula L. Diaconescu

  DOI：10.1021/ja9109715

  日期：2010.6.9

  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.