[HC(SiMe2N(2-FC6H4))3ZrCl2Li(OEt2)2] | 165545-79-9

• 英文名称: [HC(SiMe2N(2-FC6H4))3ZrCl2Li(OEt2)2]
• 英文别名: HC(SiMe2N(2-FC6H4))3ZrCl2Li(OEt2)2
• CAS: 165545-79-9
• 化学式: C₃₃H₅₁Cl₂F₃LiN₃O₂Si₃Zr
• 分子量: 832.11
• InChiKey: VOJQSKIJZQUMNR-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  [HC(SiMe2N(2-FC6H4))3ZrCl2Li(OEt2)2] 、 叔丁基锂 以 乙醚 为溶剂， 以76%的产率得到[HC(SiMe2N(2-FC6H4))3ZrC(CH3)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
• 作为产物：
  描述：

  正丁基锂 、 乙醚 、 Tris[dimethyl(2-fluoroanilino)silyl]methane 、 氯化锆(IV) 以 乙醚 为溶剂， 以50%的产率得到[HC(SiMe2N(2-FC6H4))3ZrCl2Li(OEt2)2]
  参考文献：
  名称：

  Tripodal Amido Ligands Containing an "Active" Ligand Periphery

  摘要：

  The trifunctional trisilylmethane-derived amine HC{SiMe(2)NH(2-FC6H4)}(3) (1) has been prepared which contains fluorine atoms in the ligand periphery which may act as additional donor functions in its amido complex derivatives. Lithiation with n-BuLi and reaction with YCl3 yields the seven-coordinate yttrium complex HC{SiMe(2)N(2-FC6H4)}Y-3(OEt(2)) (3) which has been structurally characterized by X-ray crystallography: triclinic, P ($) over bar 1 (No. 2), alpha = 9.4244(2) Angstrom, b = 10.5951(3) Angstrom, c = 16.6929 Angstrom, alpha = 93.280(8)degrees, beta = 91.918(7)degrees, gamma = 93.465(8)degrees, Z = 2, V = 1659.9(1) Angstrom(3), and R = 0.062. AU three fluorine donor atoms are coordinated to the yttrium center ((1)J(Y-89-F-19) = 5,3 Hz at 295 K). Rapid dynamic processes in solution which cannot be frozen out at 180 K confer an effective 3-fold symmetry upon the molecule at ambient temperature. Reaction of lithiated 1 with ZrCl4 in diethyl ether yields the (mu-Cl)(2)-bridged complex HC{SiMe(2)N(2-FC6H4)}3ZrCl2Li(OEt(2))(2) (4) which has one peripheral F-atom weakly coordinated to the Zr-center as established analytically and by an X-ray structure analysis: monoclinic, P2(1)/alpha (No. 14), alpha = 13.4123(2) Angstrom, b = 18.0086(3) Angstrom, c 17.3750(3) Angstrom, beta = 90.391(7)degrees, Z = 4, V = 4196.6(2) Angstrom(3), and R = 0.048, Reaction of 4 with MeLi gives the methyl-zirconium compound HC{SiMe(2)N(2-FC6H4)}3ZrCH3 (5) while upon condensation with [CpFe(CO)(2)](-), the dinuclear Zr-Fe-bonded complex HC{SiMe(2)N(2-FC6H4)}3ZrFe(CO)(2)Cp (6) is obtained. The spectroscopic data and structural considerations indicate that in 5 all three F-donors are bonded to Zr whereas in 6 all are uncoordinated, demonstating the coordinative flexibility of the ancillary donor functions in the tripodal amido complexes derived from 1.

  DOI：

  10.1021/ic00120a009