Hf(η(5):η(1):η(1)-C5Me4SiMe2NCH2CH2OMe)Cl(o-C6H4CH2N(CH3)2) | 209223-17-6

• 英文名称: Hf(η(5):η(1):η(1)-C5Me4SiMe2NCH2CH2OMe)Cl(o-C6H4CH2N(CH3)2)
• CAS: 209223-17-6
• 化学式: C₂₃H₃₇ClHfN₂OSi
• 分子量: 599.588
• InChiKey: QIJWTOUKJBECIN-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：

  [Hf(η(5):η(1):η(1)-C5Me4SiMe2NCH2CH2OMe)Cl2] 、 2-(N,N-dimethylaminomethyl)phenyllithium 以 正己烷 为溶剂， 以69%的产率得到Hf(η(5):η(1):η(1)-C5Me4SiMe2NCH2CH2OMe)Cl(o-C6H4CH2N(CH3)2)
  参考文献：
  名称：

  Zirconium and hafnium mono(alkyl) complexes containing a tridentate linked amido-tetramethylcyclopentadienyl ligand. Molecular structure of Hf(η5:η1:η1-C5Me4SiMe2NCH2CH2OCH3)Cl2

  摘要：

  Zirconium and hafnium complexes M(eta(5):eta(1):eta(1)-C5Me4SiMe2NCH2CH2OMe)Cl-2 (M = Zr, Hf) containing the tridentate 2-methoxyethylamido-functionalized tetramethylcyclopentadienyl ligand C5Me4SiMe2NCH2CH2OMe have been synthesized by the reaction of the dilithium derivative Li-2[C5Me4SiMe2NCH2CH2OMe] with MCl4(THF)(2). Selective monoalkylation of the dichloro complexes gave complexes of the type M(eta(5):eta(1):eta(1)-C5Me4SiMe2NCH2CH2OMe)(R)Cl (R = CH2Ph, o-C6H4CH2NMe2). The crystal structure of the hafnium dichloro complex Hf(eta(5): eta(1):eta(1)-C5Me4SiMe2NCH2CH2OMe) Cl-2 has been determined by X-ray crystal diffraction and shows a trigonal bipyramidal structure in which the five-membered ring and the methoxy function adopt the apical positions. Crystal data: monoclininc P2(1)/c, a = 12.069(2) Angstrom, b = 15.362(3) Angstrom, c = 9.949(2) Angstrom, beta = 92.04(1)degrees, V = 1843.4(6) Angstrom(3), Z = 4, R = 0.0471, R-w = 0.0952. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00372-6