(1,1'-ferrocenediyl(NSitBuMe₂)₂)LuI(thf)₂ | 1450840-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: (1,1'-ferrocenediyl(NSitBuMe₂)₂)LuI(thf)₂
• 英文别名: (NNfc)LuI(thf)2；[tert-butyl(dimethyl)silyl]-cyclopenta-1,3-dien-1-ylazanide;iron(2+);lutetium(3+);oxolane;iodide
• CAS: 1450840-55-7
• 化学式: C₃₀H₅₄FeILuN₂O₂Si₂
• 分子量: 888.66
• InChiKey: NFCKHINJVLVELW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.43
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  20.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  萘 、 (1,1'-ferrocenediyl(NSitBuMe₂)₂)LuI(thf)₂ 在 potassium graphite 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以51.1%的产率得到[(1,1'-ferrocenediyl(NSitBuMe₂)₂)Lu(THF)]₂(μ-C₁₀H₈)
  参考文献：
  名称：

  二茂铁二酰胺配体支持的镧和镥萘配合物的 P4 活化

  摘要：

  由二茂铁二酰胺配体支持的两种稀土（La 和 Lu）萘配合物在环境条件下激活 P4，专门形成 M 3P7 物种。所得复合物具有由三个镧系元素片段稳定的 Zintl 型多磷化物 P7 3-单元。报道的金属配合物通过 X 射线晶体学、多核 NMR 光谱和元素分析进行​​了表征。© 2013 Wiley-VCH Verlag GmbH & Co. KGaA，魏因海姆。

  DOI：

  10.1002/ejic.201300225

文献信息

• Bimetallic Cleavage of Aromatic C–H Bonds by Rare-Earth-Metal Complexes
  作者：Wenliang Huang、Florian Dulong、Saeed I. Khan、Thibault Cantat、Paula L. Diaconescu

  DOI：10.1021/ja510761j

  日期：2014.12.17

  A new type of C-H bond activation mediated by rare-earth metals under reducing conditions is reported. The synergy between reductants and rare-earth-metal complexes allows the cleavage of unactivated aromatic C-H bonds. The reaction between rare-earth-metal iodides supported by a 1,1'-ferrocenediamide ligand and potassium graphite in benzene leads to the formation of a 1:1 metal molar ratio of the corresponding metal hydride and metal phenyl complex. A proposed mechanism involving an inverse sandwich arene bimetallic intermediate is supported by experimental and computational studies.
• Aromatic C–F Bond Activation by Rare-Earth-Metal Complexes
  作者：Wenliang Huang、Paula L. Diaconescu

  DOI：10.1021/acs.organomet.6b00661

  日期：2017.1.9

  C-F bond activation is a challenging reaction with increasing importance in synthesis. The strength of the C-F bond and the shielding effect of the fluorine atom render its activation difficult. Rare-earth metals offer an exceptional opportunity for this process because the high dissociation energy of the M-F bond offsets the strength of the C-F bond. Herein we report a unique reaction for the C-F activation of aromatic bonds by rare-earth-metal complexes. The strong C-F bond of perfluorobenzene is cleaved under reducing conditions in the presence of a rare-earth-metal iodide to form initially an equimolar mixture of a metal fluoride and a metal perfluorophenyl complex; the latter eventually undergoes beta-F elimination to a metal fluoride. A similar behavior is observed when inverse sandwich rare-earth-metal arene complexes react with perfluorobenzene. All compounds were characterized by X-ray crystallography, multinuclear NMR spectroscopy, and elemental analysis.
• P ₄ Activation by Lanthanum and Lutetium Naphthalene Complexes Supported by a Ferrocene Diamide Ligand
  作者：Wenliang Huang、Paula L. Diaconescu

  DOI：10.1002/ejic.201300225

  日期：2013.8.6

  Two rare-earth (La and Lu) naphthalene complexes supported by a ferrocene diamide ligand activate P4 under ambient conditions to form M 3P7 species exclusively. The resulting complexes feature a Zintl-type polyphosphide P7 3- unit stabilized by three lanthanide fragments. The reported metal complexes were characterized by X-ray crystallography, multinuclear NMR spectroscopy, and elemental analysis

  由二茂铁二酰胺配体支持的两种稀土（La 和 Lu）萘配合物在环境条件下激活 P4，专门形成 M 3P7 物种。所得复合物具有由三个镧系元素片段稳定的 Zintl 型多磷化物 P7 3-单元。报道的金属配合物通过 X 射线晶体学、多核 NMR 光谱和元素分析进行​​了表征。© 2013 Wiley-VCH Verlag GmbH & Co. KGaA，魏因海姆。