[(η5:η2-2-(diphenylcyclopentadienyl)-4-tert-butyl-6-adamantylphenolato)dichlorotitanium(IV)] | 1310487-32-1

• 英文名称: [(η5:η2-2-(diphenylcyclopentadienyl)-4-tert-butyl-6-adamantylphenolato)dichlorotitanium(IV)]
• CAS: 1310487-32-1
• 化学式: C₃₇H₃₈Cl₂OTi
• 分子量: 617.494
• InChiKey: BUEVQILOCNOSAC-OEOWUUMOSA-K

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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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2-(diphenylcyclopentadienyl)-4-tert-butyl-6-adamantylphenol 、 四氯化钛 在 n-butyllithium 作用下， 以 甲苯 为溶剂， 以45.4%的产率得到[(η5:η2-2-(diphenylcyclopentadienyl)-4-tert-butyl-6-adamantylphenolato)dichlorotitanium(IV)]
  参考文献：
  名称：

  Synthesis and structures of adamantyl-substituted constrained geometry cyclopentadienyl–phenoxytitanium complexes and their catalytic properties for olefin polymerization

  摘要：

  A number of new constrained geometry titanium complexes, [eta(5): eta(1)-2-C5Me4-4-R-6-Ad-C6H2O]TiCl2 [Ad = adamantyl, R = Me (8), Bu-t (9)] and [eta(5): eta(1)-C5H2Ph2-4-Bu-t-6-Ad-C6H2O]TiCl2 (10), were synthesized from reactions of TiCl4 either directly with corresponding free ligands, 2-C5Me4H-4-R-6-Ad-C6H2OH [R = Me (5), Bu-t (6)], or with the dilithium salt of the free ligand 2-C5H3Ph2-4-Bu-t-6-Ad-C6H2OH (7). These new titanium complexes were fully characterized by H-1 and C-13 NMR spectroscopy and elemental analyses, and the molecular structures of 8 and 9 were determined by single-crystal X-ray crystallography. Upon activation with (AlBu3)-Bu-i and Ph3CB(C6F5)(4) (TIBA/B), these complexes exhibit high catalytic activity for 5-ethylidene-2-norbornene (ENB) polymerization as well as ethylene/1-hexene and ethylene/ENB copolymerization with good tacticity-control ability for the ENB polymerization and high comonomer incorporation ability for the copolymerization reactions. It was found that the bulky adamantyl substituent at the ortho position of the phenoxy group in the ligands of these complexes apparently influences the molecular weight and the microstructure of the resultant polymers. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.03.041