[Ti(N-2-C6H4CF3)Cl2(pyridine)3] | 920017-87-4

• 英文名称: [Ti(N-2-C6H4CF3)Cl2(pyridine)3]
• 英文别名: [Ti(N(2-C6H4CF3))Cl2(py)3]
• CAS: 920017-87-4
• 化学式: C₂₂H₁₉Cl₂F₃N₄Ti
• 分子量: 515.201
• InChiKey: FCHVNWHWFAGUMW-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：

  tris(4-n-butylpyrazolyl)methane 、 [Ti(N-2-C6H4CF3)Cl2(pyridine)3] 以 苯 为溶剂， 生成 [Ti(N(2-C6H4CF3))(tris(4-n-butylpyrazolyl)methane)Cl2]
  参考文献：
  名称：

  A remarkable inversion of structure–activity dependence on imido N-substituents with varying co-ligand topology and the synthesis of a new borate-free zwitterionic polymerisation catalyst

  摘要：

  三(吡唑基)甲烷支撑催化剂[Ti(NR){HC(Me2pz)3}Cl2]的乙烯聚合生产率与其 TACN 类似物的乙烯聚合生产率相比，对咪唑 R 基的依赖性有很大不同，这归因于面-N3 给体拓扑结构的差异；用 AliBu3 处理时，齐聚物三（吡唑基）甲烷化合物 [Ti(N-2-C6H4tBu){C(Me2pz)3}Cl(THF)]也是一种高活性的单位点催化剂（TACN = 1,4,7-三甲基三氮杂环壬烷）。

  DOI：

  10.1039/b514467a
• 作为产物：
  描述：

  dichloro tert-butylimido trispyridine titanium(IV) 、 邻氨基三氟甲苯 以 二氯甲烷 为溶剂， 以67%的产率得到[Ti(N-2-C6H4CF3)Cl2(pyridine)3]
  参考文献：
  名称：

  Cyclopentadienyl Titanium Imido Compounds and Their Ethylene Polymerization Capability:  Control of Molecular Weight Distributions by Imido N-Substituents

  摘要：

  Reaction of the previously reported Cp*Ti((NBu)-Bu-t)Cl(py) (1) with bulky ortho-substituted anilines ArNH2 afforded the corresponding aryl imido derivatives Cp*Ti(NAr)Cl(py) (Ar = 2,6-(C6H3Pr2)-Pr-i (2), 2,6-C6H3Br2 (3), 2-(C6H4Bu)-Bu-t (4), and 2-(C6H4Pr)-Pr-i (5)). Reaction of 2 with B(C6F5)(3) in C6D6 or heating in vacuo at 200 degrees C afforded the imido-bridged dimer Cp*Ti-2(2)(mu-N-2,6-(C6H3Pr2)-Pr-i)(2)Cl-2 (8). Activation of 1-5 with MAO gave moderately active catalyst systems for the polymerization of ethylene in contrast to the previously reported, highly active titanium imido systems Ti(Me-3[9]aneN(3))(NR)Cl-2/MAO and Ti{HC(Me(2)pz)(3)}(NR)Cl-2/MAO, which are isolobal and isoelectronic with 1-5. The Cp*-supported precatalyst productivities were sensitive to both the imido N-substituents and initial precatalyst/cocatalyst concentrations. Depending upon the imido N-substituents and initial precatalyst/cocatalyst concentrations, polyethylene with unimodal (either rather low or very high molecular weight) or bimodal molecular weight distributions can be obtained. Excess AlMe3 suppresses catalyst productivity but does not affect the overall molecular weight distribution in the system evaluated (1/MAO). Both chain transfer to aluminum and beta-hydrogen transfer appear to be active pathways for formation of the low molecular weight fractions of the polymers formed with 1-5/MAO. Under otherwise identical polymerization conditions the catalyst systems 2/MAO and 8/MAO had comparable productivities and gave polyethylene with very similar molecular weight and molecular weight distributions, suggesting a potential role for binuclear species in the catalyst systems 1-5/MAO.

  DOI：

  10.1021/om0608556