(pentamethylcyclopentadienyl)TiMe2(O-2,6-i-Pr2C6H3) | 207740-63-4

• 英文名称: (pentamethylcyclopentadienyl)TiMe2(O-2,6-i-Pr2C6H3)
• 英文别名: [(η5-C5Me5)Ti(O-2,6-i-Pr2C6H3)Me2]；Cp*TiMe2(O-2,6-i-Pr2C6H3)
• CAS: 207740-63-4
• 化学式: C₂₄H₃₈OTi
• 分子量: 390.445
• InChiKey: FZTHIAAMWATRKI-UHFFFAOYSA-M

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：
  None
• 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：

  (pentamethylcyclopentadienyl)TiMe2(O-2,6-i-Pr2C6H3) 、 三(五氟苯基)硼烷 以 氘代甲苯 为溶剂， 生成
  参考文献：
  名称：

  Nonbridged half-metallocenes containing anionic ancillary donor ligands: New promising candidates as catalysts for precise olefin polymerization

  摘要：

  Recent examples for synthesis of group 4 transition metal (Ti, Zr, Hf) complexes, especially nonbridged half-metallocenes containing anionic donor ligands of the type, Cp'MX2(L) (Cp'= cyclopentadienyl group; M = Ti, Zr, Hf; X = halogen, alkyl etc.; L = anionic donor ligands), as catalysts for precise olefin polymerization have been reviewed. It has been revealed that these complex catalysts displayed unique characteristics especially for ethylene copolymerizations and some examples are known to produce new polyolefins that cannot be prepared by ordinary catalysts such as classical Ziegler-Natta, metallocenes. Modification of both cyclopentadienyl fragment and anionic ancillary donor ligands are the key for precise olefin (co)polymerization. (C) 2006 Elsevier B.V All rights reserved.

  DOI：

  10.1016/j.molcata.2006.11.006
• 作为产物：
  描述：

  carbanide,cyclopenta-1,3-diene,titanium(4+) 、 丙泊酚 以 乙醚 为溶剂， 以77%的产率得到(pentamethylcyclopentadienyl)TiMe2(O-2,6-i-Pr2C6H3)
  参考文献：
  名称：

  Synthesis of Various Nonbridged Titanium(IV) Cyclopentadienyl−Aryloxy Complexes of the Type CpTi(OAr)X₂ and Their Use in the Catalysis of Alkene Polymerization. Important Roles of Substituents on both Aryloxy and Cyclopentadienyl Groups

  摘要：

  Various titanium complexes of the type Cp'Ti(OAr)Cl-2 (Cp' = cyclopentadienyl; OAr = aryloxy) could be prepared in high yields from Cp'TiCl3. These complexes show remarkable catalytic activities for alkene polymerization with MAO or (AlBu3)-Bu-i-Ph3CB(C6F5)(4): (C-5-Me-5)Ti(O-2,6-(Pr2C6H3)-Pr-i)X-2 (X = Cl (2b), Me (8b), CF3-SO3 (9b)) showed the highest activities. The bond angle Ti-O-C (phenyl group) in 2b (173.0 degrees) is significantly different from those for other complexes (162.3-163.1 degrees).

  DOI：

  10.1021/om980106r

文献信息

• Half-titanocenes for precise olefin polymerisation: effects of ligand substituents and some mechanistic aspects
  作者：Kotohiro Nomura、Jingyu Liu

  DOI：10.1039/c1dt10086f

  日期：——

  Selected examples concerning effects of both cyclopentadienyl fragment (Cp′) and anionic donor ligand (Y) in nonbridged modified half-titanocenes of the type, Cp′TiX2(Y) (X = halogen, alkyl), as new type of olefin polymerisation catalysts have been reviewed. These complexes displayed unique characteristics not only for ethylene (co)polymerisation but also for syndiospecific styrene polymerisation, ethylene/styrene copolymerisation; precise fine tuning of the ligand substituents plays an important role for the successful (co)polymerisation; a different mechanistic consideration for the syndiospecific styrene polymerisation, which can explain the copolymerisation behaviour in this catalysis, has also been introduced.

  关于环戊二烯基片段 (Cp') 和阴离子供体配体 (Y) 在 Cp'TiX2(Y)（X = 卤素、烷基）类型的非桥联改性半二茂钛中作为新型烯烃聚合催化剂的影响的选定实例已被审查。这些配合物不仅在乙烯（共）聚合方面表现出独特的特性，而且在间规苯乙烯聚合、乙烯/苯乙烯共聚方面也表现出独特的特性；配体取代基的精确微调对于成功（共）聚合起着重要作用；还介绍了间规苯乙烯聚合的不同机制考虑，可以解释该催化中的共聚行为。
• Structure−Activity Correlation in Titanium Single-Site Olefin Polymerization Catalysts Containing Mixed Cyclopentadienyl/Aryloxide Ligation
  作者：Thomas A. Manz、Khamphee Phomphrai、Grigori Medvedev、Balachandra B. Krishnamurthy、Shalini Sharma、Jesmin Haq、Krista A. Novstrup、Kendall T. Thomson、W. Nicholas Delgass、James M. Caruthers、Mahdi M. Abu-Omar

  DOI：10.1021/ja0640849

  日期：2007.4.1

  In this work, we report the synthesis of eighteen titanium cyclopentadienyl aryloxide complexes and their propagation rate constants for 1-hexene polymerization. A correlation between k(p) values and the underlying catalyst structures is developed using DFT-computed ligand cone angles and ion pair separation energies as structural and electronic descriptors. The correlation takes the form of an Arrhenius-like relationship where the pre-exponential factor is correlated to the ligand cone angles and the activation energy term is correlated to the ion pair separation energies. This finding is consistent with the idea that the ability of the monomer to access the metal center is a key factor affecting the reaction rate.
• Some reactions of Cp*TiMe2(OAr) and Cp*TiMe(CF3SO3)(OAr) with 5-hexen-1-ol and 3-buten-1-ol, structural analysis for Cp*Ti(CF3SO3)[OCH2(CH2)3CHCH2](OAr)
  作者：Kotohiro Nomura、Yumiko Hatanaka

  DOI：10.1016/s1387-7003(03)00035-2

  日期：2003.5

  Reaction of Cp*TiMe(CF3SO3)(OAr) (2, OAr = O-2,6-Pr-i(2) C6H3) with 5-hexen-1-ol in n-hexane gave Cp*Ti(CF3SO3)[OCH2 (CH2), CH=CH2] (OAr) (3) exclusively (94% yield). 3 was very stable upon heating, and the structural analysis has been made by Xray crystallography. Reaction of Cp*TiMe2(OAr) with both 5-hexen-1-ol and 3-buten-1-ol have also been explored. (C) 2003 Elsevier Science B.V. All rights reserved.
• A study concerning the effect of organoboron compounds in 1-hexene polymerization catalyzed by Cp*TiMe2(O-2,6-iPr2C6H3). Structural analysis for Cp*TiMe2(O-2,6-iPr2C6H3) and Cp*TiMe(CF3SO3)(O-2,6-iPr2C6H3)
  作者：Kotohiro Nomura、Aya Fudo

  DOI：10.1016/s0020-1693(02)01371-3

  日期：2003.3

  Since the observed catalytic activity was extremely low if B(C6F5)(3) was used as the cocatalyst for 1-hexene polymerization in the presence of Cp*TiMe2(O-2,6-(Pr2C6H3)-Pr-i) (1, CP* = C5Me5)-(AlBu3)-Bu-i catalyst, although the significant catalytic activity was observed if Ph3CB(C6F5)(4) was used in place of B(C6F5)(3), the reaction of I with B(C6F5)(3), Ph3CB(C6F5)(4) was thus explored. The reaction of I with B(C6F5)(3) afforded decomposed and/or several compounds even at -70 degreesC, whereas no decomposition was observed if the reaction of 1 with Ph3CB(C6F5)(4) was employed. The species generated from the reaction of 1 with Ph3CB(C6F5)(4) consumed 1-hexene exclusively even at -30 degreesC. Cp*TiMe(CF3SO3)(O-2,6-(Pr2C6H3)-Pr-i) (4) was prepared by the reaction of 1 with CF3SO3H in high yield (73%), and structural analysis for 1 and 4 were determined by X-ray crystallography. (C) 2002 Elsevier Science B.V. All rights reserved.