[ZrCl3(N(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)C(Me)CHC(Me)N(2,4,6-trimethylsilyl))(thf)] | 887947-12-8

• 英文名称: [ZrCl3(N(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)C(Me)CHC(Me)N(2,4,6-trimethylsilyl))(thf)]
• CAS: 887947-12-8
• 化学式: C₄₅H₈₅Cl₃N₂OSi₆Zr
• 分子量: 1036.28
• InChiKey: MPYLWTCNYSDEHA-NQCWUJKUSA-K

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：
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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：

  zirconium tetrachloride bis(tetrahydrofuran) complex 、 [Li(N(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)C(Me)CHC(Me)N(2,4,6-trimethylphenyl))] 以 苯 为溶剂， 以87%的产率得到[ZrCl3(N(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)C(Me)CHC(Me)N(2,4,6-trimethylsilyl))(thf)]
  参考文献：
  名称：

  Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes

  摘要：

  Reductions of tetravalent group 4 metal beta-diketiminates, [(MCl3)-Cl-IV(nacnac)(thf)(n)] (2a, M = Ti; 3b, M = Zr; 3c, M = Hf; nacnac = {N(Tbt)C(Me)CHC(Me)N(Mes)}(-), Tbt = 2,4,6-tris[bis(trimethylsilyl)-methyl]phenyl, Mes = 2,4,6-trimethylphenyl, n = 0, 1), with 2 equiv of KC8 in the presence of LiCl and tmeda afforded the metal-imido complexes [M=NTbt{C(Me)CHC(Me)N(Mes)}(mu-Cl)(2)Li(tmeda)] (4a, M = Ti; 4b, M = Zr; 4c, M = Hf; tmeda = Me2NCH2CH2NMe2). The formation of imido complexes 4a-c can be explained in terms of the generation of the corresponding divalent complexes [(MCl)-Cl-II(nacnac)(L)(n)] (6a, M = Ti; 6b, M = Zr; 6c, M = Hf; L = thf or Li(tmeda), etc.), followed by the reductive, regioselective cleavage of the C=N bond tethered to the Tbt group. The intermediacy of the divalent titanium complex 6a was supported by the alternative formation of 4a in the reaction of [Li(nacnac)] (1) with [(TiCl2)-Cl-II(tmeda)(2)](-) Interestingly, 4a-c reacted with H2O to give the free ligand nacnacH (8).

  DOI：

  10.1021/om0509948