[HC(SiMe2N(4-CH3C6H4))3Zr(Cl4(Li-OEt2)3)] | 256425-66-8

• 英文名称: [HC(SiMe2N(4-CH3C6H4))3Zr(Cl4(Li-OEt2)3)]
• CAS: 256425-66-8
• 化学式: C₄₀H₇₀Cl₄Li₃N₃O₃Si₃Zr
• 分子量: 979.13
• InChiKey: NFVNMRAKCRXOTR-UHFFFAOYSA-J

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：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 [HC(SiMe2N(4-CH3C6H4))3Zr(Cl4(Li-OEt2)3)] 以 四氢呋喃 为溶剂， 生成 [HC(SiMe2N(4-CH3C6H4))3ZrCl(THF)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
• 作为产物：
  描述：

  乙醚 、 HC[SiMe2N(4-MeC6H4)]3Li3 、 氯化锆(IV) 以 乙醚 为溶剂， 生成 [HC(SiMe2N(4-CH3C6H4))3Zr(Cl4(Li-OEt2)3)]
  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