[(C5Me5)Ti(N-2,6-C6H3Br2)Cl(pyridine)] | 920017-84-1

• 英文名称: [(C5Me5)Ti(N-2,6-C6H3Br2)Cl(pyridine)]
• CAS: 920017-84-1
• 化学式: C₂₁H₂₃Br₂ClN₂Ti
• 分子量: 546.568
• InChiKey: YUDOFUPNNFRVPH-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：

  chloro(η5-pentamethylcyclopentadienyl)(tert-butylimido)(pyridine)titanium 、 2,6-二溴苯胺 以 苯 为溶剂， 以31%的产率得到[(C5Me5)Ti(N-2,6-C6H3Br2)Cl(pyridine)]
  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