[Ti{MePhSi(η⁵-C₅Me₄)₂}Cl₂] | 1227490-67-6

• 英文名称: [Ti{MePhSi(η⁵-C₅Me₄)₂}Cl₂]
• 英文别名: [titanium(dichloride)(η5-C5(CH3)2Si(methyl)(phenyl)]；[TiCl2(C5(CH3)4)2SiMePh]
• CAS: 1227490-67-6
• 化学式: C₂₅H₃₂Cl₂SiTi
• 分子量: 479.401
• InChiKey: PJYYWUREMIFLBN-UHFFFAOYSA-L

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：

  [Ti{MePhSi(η⁵-C₅Me₄)₂}Cl₂] 、 四氯化钛 以 not given 为溶剂， 以84%的产率得到[(titanium(trichloride)(η5-C5(CH3)H4))2Si(methyl)(phenyl)]
  参考文献：
  名称：

  Dinuclear titanium complexes with methylphenylsilylene bridge between cyclopentadienyl rings. Synthesis, characterization and reactivity towards ethylene

  摘要：

  The new ansa-titanocene dichloride [{(SiMePh)(eta(5)-C(5)H(4))(2)}TiCl(2)] (1) was prepared by one pot reaction, whereas synthesis of its methylated analogue [{(SiMePh)(eta(5)-C(5)Me(4))(2)} TiCl(2)] (3) was performed in two steps with isolation of corresponding silane intermediate SiMePh(HC(5)Me(4))(2) (2). The reaction of 1 and 3 with TiCl(4) afforded the dinuclear complexes [(SiMePh){(eta(5)-C(5)R(4))TiCl(3)}(2)] (R= H (4) and R = Me (5)). The catalysts formed from 4 and 5 after their activation with excess MAO exhibited a modest activity in ethylene polymerization. The polymer products consisted of high molar mass linear polyethylenes with a broad molar mass distribution. The presence of three paramagnetic titanium species in the mixture 4/MAO was revealed by EPR spectroscopy. All new prepared compounds 1-5 were characterized by multinuclear NMR, EI-MS, IR, and solid-state structures of 1, 3 and 5 were determined by X-ray single crystal diffraction. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.01.037
• 作为产物：
  描述：

  四氢呋喃氯化钛 、 (methyl)(phenyl)bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane 在 n-BuLi 、 aq. HCl 作用下， 以 四氢呋喃 为溶剂， 以16%的产率得到[Ti{MePhSi(η⁵-C₅Me₄)₂}Cl₂]
  参考文献：
  名称：

  Dinuclear titanium complexes with methylphenylsilylene bridge between cyclopentadienyl rings. Synthesis, characterization and reactivity towards ethylene

  摘要：

  The new ansa-titanocene dichloride [{(SiMePh)(eta(5)-C(5)H(4))(2)}TiCl(2)] (1) was prepared by one pot reaction, whereas synthesis of its methylated analogue [{(SiMePh)(eta(5)-C(5)Me(4))(2)} TiCl(2)] (3) was performed in two steps with isolation of corresponding silane intermediate SiMePh(HC(5)Me(4))(2) (2). The reaction of 1 and 3 with TiCl(4) afforded the dinuclear complexes [(SiMePh){(eta(5)-C(5)R(4))TiCl(3)}(2)] (R= H (4) and R = Me (5)). The catalysts formed from 4 and 5 after their activation with excess MAO exhibited a modest activity in ethylene polymerization. The polymer products consisted of high molar mass linear polyethylenes with a broad molar mass distribution. The presence of three paramagnetic titanium species in the mixture 4/MAO was revealed by EPR spectroscopy. All new prepared compounds 1-5 were characterized by multinuclear NMR, EI-MS, IR, and solid-state structures of 1, 3 and 5 were determined by X-ray single crystal diffraction. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.01.037