[(1,1'-bi-2-phenolate)TiCl2(THF)2] | 848475-67-2

• 英文名称: [(1,1'-bi-2-phenolate)TiCl2(THF)2]
• CAS: 848475-67-2
• 化学式: C₂₀H₂₄Cl₂O₄Ti
• 分子量: 447.194
• InChiKey: GYHUMPATAKASBA-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：
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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：

  [(1,1'-bi-2-phenolate)TiCl2(THF)2] 、 C₂H₄(1-indenyl)2Li₂(THF)2 以 四氢呋喃 、 甲苯 为溶剂， 以12%的产率得到rac-C₂H₄(1-indenyl)2Ti(1,1'-bi-2-phenolate)
  参考文献：
  名称：

  ansa-Titanocene Catalysts for α-Olefin Polymerization. Syntheses, Structures, and Reactions with Methylaluminoxane and Boron-Based Activators

  摘要：

  The racemic isomers Of C2H4(1-Ind)(2)TiCl2 and Me2Si(2-Me-Benzind)(2)TiMe2 were synthesized and structurally characterized. Reactions of these and related ansa-titanocene complexes with methylaluminoxane or with the cationizing reagent [CPh3](+)[B(C6F5)(4)](-)/Al-2-Me-6 were monitored by UV/vis, H-1 NMR, and EPR methods. Under conditions approaching those typically used in olefin polymerizations, heterobinuclear cations of the type [DianTi(IV)(mu-Me)(2)AlMe2](+) (with Dian = bridged ligand dianion) dominate in each of these reaction systems, which catalyze the polymerization of propene at temperatures below ambient. Above 0degreesC, these cations are reduced, mainly to neutral heterobinuclear species DianTi(III)(mu-Me)(2)AlMe2, which appear to be inactive with regard to polymerization catalysis. In the absence of monomer, the main reducing agent appears to be ethyl aluminum admixtures in Al2Me6. Addition of monomer increases the rate of reduction rather drastically, probably via formation of titanium hydrides.

  DOI：

  10.1021/om0492496
• 作为产物：
  描述：

  四氢呋喃 、 2,2'-二羟基联苯 、 四氯化钛 以 甲苯 为溶剂， 以91%的产率得到[(1,1'-bi-2-phenolate)TiCl2(THF)2]
  参考文献：
  名称：

  ansa-Titanocene Catalysts for α-Olefin Polymerization. Syntheses, Structures, and Reactions with Methylaluminoxane and Boron-Based Activators

  摘要：

  The racemic isomers Of C2H4(1-Ind)(2)TiCl2 and Me2Si(2-Me-Benzind)(2)TiMe2 were synthesized and structurally characterized. Reactions of these and related ansa-titanocene complexes with methylaluminoxane or with the cationizing reagent [CPh3](+)[B(C6F5)(4)](-)/Al-2-Me-6 were monitored by UV/vis, H-1 NMR, and EPR methods. Under conditions approaching those typically used in olefin polymerizations, heterobinuclear cations of the type [DianTi(IV)(mu-Me)(2)AlMe2](+) (with Dian = bridged ligand dianion) dominate in each of these reaction systems, which catalyze the polymerization of propene at temperatures below ambient. Above 0degreesC, these cations are reduced, mainly to neutral heterobinuclear species DianTi(III)(mu-Me)(2)AlMe2, which appear to be inactive with regard to polymerization catalysis. In the absence of monomer, the main reducing agent appears to be ethyl aluminum admixtures in Al2Me6. Addition of monomer increases the rate of reduction rather drastically, probably via formation of titanium hydrides.

  DOI：

  10.1021/om0492496