(2,6-dimethylphenyloxo)(tert-butylcyclopentadienyl)titanium(IV) dichloride | 928791-10-0

• 英文名称: (2,6-dimethylphenyloxo)(tert-butylcyclopentadienyl)titanium(IV) dichloride
• 英文别名: (tBuC5H4)TiCl2(O-2,6-Me2C6H3)
• CAS: 928791-10-0
• 化学式: C₁₇H₂₂Cl₂OTi
• 分子量: 361.147
• InChiKey: YEDHBXDVMHGXLW-UHFFFAOYSA-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：

  (^tBuC₅H₄)TiCl₃ 、 lithium 2,6-dimethylphenolate 以 乙醚 为溶剂， 以64%的产率得到(2,6-dimethylphenyloxo)(tert-butylcyclopentadienyl)titanium(IV) dichloride
  参考文献：
  名称：

  Effect of aryloxide ligand in 1-hexene, styrene polymerization catalyzed by nonbridged half-titanocenes of the type, Cp′TiCl2(OAr) (Cp′=C5Me5, tBuC5H4)

  摘要：

  Various (aryloxo)(pentamethylcyclopentadienyl)titanium(IV) dichloride complexes of the type, Cp*TiCl2(OAr) [Cp* = C5Me5, Ar = 2,6-Me2C6H3 (1), 2,4,6-Me3C6H2 (2), 2,6-(Pr2C6H3)-Pr-i (3), 2,6-Pr-i(2)-4-'BuC6H2 (4), 2,6-'Bu2C6H3 (5), 2,6-'Bu-2-4-MeC6H2 (6)], have been prepared, and structures for 4 and 5 have been determined by X-ray crystallography. The Ti-O-C (phenyl) bond angles for the Cp* analogues containing the 2,6-diisopropyl-substituted phenoxo ligands (3-4, 173.0-174.6 degrees) were larger than those for other Cp* analogues (155.5-162.3 degrees), suggesting that both Cp* and 2,6-diisopropyl-substituted aryloxo ligand force the unique bond angle leading to more O -> Ti pi donation into Ti. Effect of aryloxide ligand in 1-hexene polymerization catalyzed by Cp*TiCl2(OAr)-MAO catalysts were explored, and 34 exhibited the exceptionally high catalytic activities. Various tert-BuCp analogues of the type, ('BuC5H4)TiCl2(OAr) [Ar = 2,6-Me2C6H3 (7), 2,4,6-Me3C6H2 (8), 2,6-(Pr2C6H3)-Pr-i (9), 2,6-Pr-i(2)-4-'BuC6H2 (10), 2,6-'Bu2C6H3 (11), 2,6-'Bu-2-4-MeC6H2 (12)], have also been prepared, and explored effect of the aryloxide ligand in syndiospecific styrene polymerization in the presence of MAO cocatalyst. The catalytic activity increased in the order: 10 (activity 2680 kg sPs/mol Ti h) > 7, 9 (1370) > 8 (534) > 11 (258) > 12 (54), strongly suggesting that role of anionic donor ligand was present in this catalysis. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2006.03.030