3-[2-(3,5-dimethylphenyl)prop-2-yl]-trimethylsilylcyclopentadienyl titanium trichloride | 450410-94-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[2-(3,5-dimethylphenyl)prop-2-yl]-trimethylsilylcyclopentadienyl titanium trichloride
• 英文别名: [η5-(3-SiMe3)C5H3CMe2-3,5-Me2C6H3]TiCl3；[1-(1-methyl-1-(3,5-dimethylphenyl)ethyl)-3-trimethylsilylcyclopentadienyl]titanium trichloride；[3-[2-(3,5-Dimethylphenyl)propan-2-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;titanium(4+);trichloride
• CAS: 450410-94-3
• 化学式: C₁₉H₂₇Cl₃SiTi
• 分子量: 437.748
• InChiKey: IIDFMIQCOPERQP-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

• 作为反应物：
  描述：

  3-[2-(3,5-dimethylphenyl)prop-2-yl]-trimethylsilylcyclopentadienyl titanium trichloride 、 甲基氯化镁 以 四氢呋喃 、 乙醚 为溶剂， 以99%的产率得到3-[2-(3,5-dimethylphenyl)prop-2-yl]-trimethylsilylcyclopentadienyl trimethyl titanium
  参考文献：
  名称：

  Selective ethylene trimerization: A study into the mechanism and the reduction of PE formation

  摘要：

  In the present study, the titanium-catalyzed ethylene trimerization in general, and more specifically, the concomitant PE formation have been studied. The polymer formation is undesirable as it not only will lead to lower I-hexene yields, but it can cause reactor fouling under the applied conditions (30-80 degrees C, toluene solvent). It is, therefore, important to know which factors are involved in the formation of polymeric products and how their formation can be reduced or even prevented. The PE formation turns out to be catalyzed by at least two different species. A significant amount of PE is formed in the early stages of the reaction, caused by the presence of partly alkylated titanium species. The PE formation during later stages of the reaction is due to degraded catalyst species, which means that polymer formation is an inherent property of this catalyst system. The polymer output can be reduced largely by premixing Cp'TiCl3 and methyl aluminoxane (MAO) prior to injection into the reactor. It was also demonstrated that the type of MAO activator/impurity scavenger is of great importance. For a low yield of PE it is essential to use an MAO that does not contain and/or is not able to generate aluminum hydride species. In the end the best results with respect to both productivity and selectivity were obtained by starting from trimethyl titanium compounds. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2005.12.030
• 作为产物：
  描述：

  C5H3(SiMe3)2CMe2-3,5-Me2C6H3 、 四氯化钛 以 二氯甲烷 为溶剂， 以72%的产率得到3-[2-(3,5-dimethylphenyl)prop-2-yl]-trimethylsilylcyclopentadienyl titanium trichloride
  参考文献：
  名称：

  乙烯与高活性环戊二烯基-芳烃钛催化剂的催化三聚

  摘要：

  单（环戊二烯基-芳烃）钛配合物[ η 5 -C 5 H ^ 3 R-（桥）-Ar]的TiCl 3，由甲基铝氧烷（MAO）助催化剂活化，形成家庭高活性催化剂用于乙烯的三聚，得到以1-己烯为主要产物。还观察到乙烯和1-己烯的共共聚，主要得到5-甲基壬-1-烯。三聚化的选择性取决于在环戊二烯基配体上是否存在悬垂的芳烃基团以及这两个配体部分之间的桥的性质。在没有悬垂芳烃的情况下，聚乙烯是主要产品。对于具有双取代的C 1的催化剂，观察到了最高的三聚活性和选择性。环戊二烯基和芳烃配体部分之间的桥。环戊二烯基配体上的SiMe 3取代基改善了催化剂活性和选择性，而芳烃的甲基取代则降低了活性。然而，将环戊二烯基SiMe 3取代与芳烃Me取代结合在一起，可制得具有最高活性和选择性的催化剂，这证明了该体系中配体取代基具有很强的非线性加成作用。环戊二烯基-芳烃配体是可能表现出hemilabile行为催化期间，通过稳定的中间体η

  DOI：

  10.1021/om020765a

文献信息

• Selective ethylene trimerization with a cyclopentadienyl-arene titanatrane catalyst
  作者：Young-kook Kim、Jaeyoung Park、Seungwoong Yoon、Seung Bin Park

  DOI：10.1007/s11243-012-9607-2

  日期：2012.8

  Cyclopentadienyl-arene titanatrane catalysts activated by methylaluminoxane (MAO) cocatalysts were studied for the trimerization of ethylene. The introduction of electron-rich multidentate ligands to the catalysts’ active sites resulted in good productivity and selectivity for ethylene trimerization. Various amounts of MAO were tested, and methods of its introduction to the system were varied. It has

  研究了由甲基铝氧烷 (MAO) 助催化剂活化的环戊二烯基-芳烃二氧化钛催化剂用于乙烯的三聚反应。将富电子多齿配体引入催化剂的活性位点可提高乙烯三聚反应的生产率和选择性。测试了各种数量的 MAO，并将其引入系统的方法各不相同。已经表明，催化剂与 MAO 的预烷基化提高了乙烯三聚的产率。还研究了反应温度和压力对 1-己烯生产率和选择性的影响。乙烯转化率大约是乙烯浓度的一级。1-己烯是在温和条件下生产的，可以通过较低温度的反应实现节能。