[HC(SiMe2N(2-FC6H4))3HfCl(OEt2)2] | 256425-74-8

• 英文名称: [HC(SiMe2N(2-FC6H4))3HfCl(OEt2)2]
• CAS: 256425-74-8
• 化学式: C₃₃H₅₁ClF₃HfN₃O₂Si₃
• 分子量: 876.982
• InChiKey: PCSBFQOLTPNMDX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  乙醚 、 Tris[dimethyl(2-fluoroanilino)silyl]methane 、 氯化铪 在 BuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 以53%的产率得到[HC(SiMe2N(2-FC6H4))3HfCl(OEt2)2]
  参考文献：
  名称：

  The tendency of tripodal amidozirconium and hafnium complexes to form hexacoordinate structures: alkali metal halide cages versus solvent adducts

  摘要：

  Reaction of the tripodal lithium amide [HC{SiMe2N(Li)(4-CH3C6H4)}(3)] with ZrCl4 in diethylether gave the chlorozirconium-lithum chloride complex [HC{SiMe2N(4-CH3C6H4)}(3)Zr{Cl-4(Li-OEt2)(3)}] (3). This contains a metal halide heterocubane unit fused to the tripodal amido cage through the hexacoordinate zirconium atom as established by an X-ray diffraction study. Recrystallisation of the compound in THF gives the hexacoordinate solvent adduct [HC{SiMe2N(4-CH3C6H4)}(3)ZrCl(THF)(2)] (4) which was also characterized by X-ray crystallography. Alkylation of the chloro complex [HC{SiMe2N(2-FC6H4)}(3)Zr((-Cl)(2)Li(OEt2)(2)] (2a) with methyllithium or t-butyllithium yields the alkylcomplexes [HC{SiMe2N(2-FC6H4)}(3)ZrCH3] (6) and [HC{SiMe2N(2-FC6H4)}(3)ZrC(CH3)(3)] (7) for which the JFH and JFC coupling with the metal-bound alkyl groups indicates involvement of the peripheral fluoro functions in the coordination to the metal centre. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00486-6