3-{[1-(4-methylphenyl)]cyclohexyl}-1H-indene | 1332716-91-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3-{[1-(4-methylphenyl)]cyclohexyl}-1H-indene
• 英文别名: 3-[1-(4-methylphenyl)cyclohexyl]-1H-indene
• CAS: 1332716-91-2
• 化学式: C₂₂H₂₄
• 分子量: 288.433
• InChiKey: QJLRBHJBTNIENB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3-{[1-(4-methylphenyl)]cyclohexyl}-1H-indene 、 四氯化钛 、 alkaline earth salt of/the/ methylsulfuric acid 在 正丁基锂 作用下， 生成 [Ind-C(cyclo-C₅H₁₀)-(p-MePh)]TiCl₃
  参考文献：
  名称：

  Highly selective ethylene trimerization catalyzed by half-sandwich indenyl titanium complexes with pendant arene groups and MAO

  摘要：

  A series of half-sandwich indenyl titanium complexes [Ind-(bridge)-Ar]TiCl3 (C1-C9) bearing pendant arene group on indenyl ring have been synthesized and used for the catalytic ethylene trimerization to 1-hexene in the presence of MAO. The molecular structures of complexes C3 [Ind-C(cydo-C5H10)-Ph]TiCl3 and C5 [Ind-C(cyclo-C5H10)-(p-MePh)]TiCl3 have been established by single-crystal X-ray diffraction study. No intramolecular coordination interaction between the arene moiety and the titanium center could be observed in the solid state of these complexes. At 0 degrees C and 0.8 MPa of ethylene pressure, upon activation with MAO, C3 possesses the highest activity of 1968 kg of 1-hexene/(mol-Tih) and the overall selectivity of 95.9% by mass for 1-hexene, and is also more active than the corresponding cyclopentadienyl analog [Cp-C(cyclo-C5H10)-Ph]TiCl3 (C10) under the identical conditions. The substituents of various steric and electronic effects on the pendant arene group and the bridge unit between the indenyl and this arene group exert great influence on the activity and selectivity of these indenyl titanium complexes for ethylene trimerization to 1-hexene. Similar to cyclopentadienyl analogs, upon activation with MAO the resultant indenyl catalytic systems also show great sensitivity to the temperature. With the increase of the reaction temperature, both the activity and selectivity of 1-hexene declined. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2013.03.005
• 作为产物：
  描述：

  6,6-pentamethylenebenzofulvene 、 甲基苯锂 在 水 作用下， 以 乙醚 为溶剂， 反应 24.0h， 生成 3-{[1-(4-methylphenyl)]cyclohexyl}-1H-indene
  参考文献：
  名称：

  Highly selective ethylene trimerization catalyzed by half-sandwich indenyl titanium complexes with pendant arene groups and MAO

  摘要：

  A series of half-sandwich indenyl titanium complexes [Ind-(bridge)-Ar]TiCl3 (C1-C9) bearing pendant arene group on indenyl ring have been synthesized and used for the catalytic ethylene trimerization to 1-hexene in the presence of MAO. The molecular structures of complexes C3 [Ind-C(cydo-C5H10)-Ph]TiCl3 and C5 [Ind-C(cyclo-C5H10)-(p-MePh)]TiCl3 have been established by single-crystal X-ray diffraction study. No intramolecular coordination interaction between the arene moiety and the titanium center could be observed in the solid state of these complexes. At 0 degrees C and 0.8 MPa of ethylene pressure, upon activation with MAO, C3 possesses the highest activity of 1968 kg of 1-hexene/(mol-Tih) and the overall selectivity of 95.9% by mass for 1-hexene, and is also more active than the corresponding cyclopentadienyl analog [Cp-C(cyclo-C5H10)-Ph]TiCl3 (C10) under the identical conditions. The substituents of various steric and electronic effects on the pendant arene group and the bridge unit between the indenyl and this arene group exert great influence on the activity and selectivity of these indenyl titanium complexes for ethylene trimerization to 1-hexene. Similar to cyclopentadienyl analogs, upon activation with MAO the resultant indenyl catalytic systems also show great sensitivity to the temperature. With the increase of the reaction temperature, both the activity and selectivity of 1-hexene declined. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2013.03.005

文献信息

• Highly selective ethylene trimerization catalyzed by half-sandwich indenyl titanium complexes with pendant arene groups and MAO
  作者：Yanlu Zhang、Haiyan Ma、Jiling Huang

  DOI：10.1016/j.molcata.2013.03.005

  日期：2013.7

  A series of half-sandwich indenyl titanium complexes [Ind-(bridge)-Ar]TiCl3 (C1-C9) bearing pendant arene group on indenyl ring have been synthesized and used for the catalytic ethylene trimerization to 1-hexene in the presence of MAO. The molecular structures of complexes C3 [Ind-C(cydo-C5H10)-Ph]TiCl3 and C5 [Ind-C(cyclo-C5H10)-(p-MePh)]TiCl3 have been established by single-crystal X-ray diffraction study. No intramolecular coordination interaction between the arene moiety and the titanium center could be observed in the solid state of these complexes. At 0 degrees C and 0.8 MPa of ethylene pressure, upon activation with MAO, C3 possesses the highest activity of 1968 kg of 1-hexene/(mol-Tih) and the overall selectivity of 95.9% by mass for 1-hexene, and is also more active than the corresponding cyclopentadienyl analog [Cp-C(cyclo-C5H10)-Ph]TiCl3 (C10) under the identical conditions. The substituents of various steric and electronic effects on the pendant arene group and the bridge unit between the indenyl and this arene group exert great influence on the activity and selectivity of these indenyl titanium complexes for ethylene trimerization to 1-hexene. Similar to cyclopentadienyl analogs, upon activation with MAO the resultant indenyl catalytic systems also show great sensitivity to the temperature. With the increase of the reaction temperature, both the activity and selectivity of 1-hexene declined. (C) 2013 Elsevier B.V. All rights reserved.