[η⁵-C₉H₆-C(cyclo-C₅H₁₀)-(5-Me₃SiC₄H₃S)]TiCl₃ | 1431946-79-0

• 英文名称: [η⁵-C₉H₆-C(cyclo-C₅H₁₀)-(5-Me₃SiC₄H₃S)]TiCl₃
• CAS: 1431946-79-0
• 化学式: C₂₂H₂₇Cl₃SSiTi
• 分子量: 505.847
• InChiKey: DYMXKYHUDXRJAS-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：

  、 四氯化钛 在 正丁基锂 作用下， 以 正己烷 为溶剂， 以48%的产率得到[η⁵-C₉H₆-C(cyclo-C₅H₁₀)-(5-Me₃SiC₄H₃S)]TiCl₃
  参考文献：
  名称：

  Highly selective trimerization of ethylene with half-sandwich cyclopentadienyl and indenyl titanium complexes bearing pendant thienyl group

  摘要：

  A series of half-sandwich titanium complexes bearing thienyl group [Cp(Ind)-bridge-thienyl]TiCl3 (CS1-CS10) have been synthesized and show high selective ethylene trimerizaion to 1-hexene. The molecular structure of CS8 [Ind-C(cyclo-C5H10)-(5-Me-thienyl)]TiCl3 was confirmed by X-ray. No intramolecular coordination interaction between the sulfur atom on the thienyl group and the titanium center could be observed in the solid state of these complexes. After activated with MAO, the complexes can effectively catalyze ethylene trimerization. For [Cp-bridge-thienyl]TiCl3/MAO system, the best productivity is obtained at 30 degrees C; increasing the bulk of the substituent on the 5-position of the thienyl can improve the productivity for 1-hexene. CS6 [Cp-C(cyclo-C5H10)-(5-SiMe3-thienyl)]TiCl3 upon with MAO can make a productivity of 553 kg/(mol Ti-h) and 1-hexene selectivity of 86% at 30 degrees C, 0.5 MPa ethylene pressure. For [Ind-bridge-thienyl] TiCl3/MAO system, catalysts have more active and more tolerant of temperature comparing to corresponding Cp complexes. For example, CS8 can make the productivity of 697 kg/(mol Ti-h) and 1-hexene selectivity of 95% at 80 degrees C, 0.5 MPa ethylene. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2014.02.010