trimethyl(5-((5-methyl-2-((trimethylsilyl)oxy)phenyl)(phenyl)methyl)cyclopenta-1,3-dien-1-yl)silane | 1022150-31-7

• 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: trimethyl(5-((5-methyl-2-((trimethylsilyl)oxy)phenyl)(phenyl)methyl)cyclopenta-1,3-dien-1-yl)silane
• CAS: 1022150-31-7
• 化学式: C₂₅H₃₄OSi₂
• 分子量: 406.715
• InChiKey: XRUYNXFMQQQLLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.33
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  三甲基氯硅烷 、 2-溴-4-甲基苯酚 、 (环戊-2,4-二烯-1-亚基甲基)苯 在 正丁基锂 作用下， 以 乙醚 为溶剂， 反应 6.0h， 以33.5%的产率得到trimethyl(5-((5-methyl-2-((trimethylsilyl)oxy)phenyl)(phenyl)methyl)cyclopenta-1,3-dien-1-yl)silane
  参考文献：
  名称：

  Synthesis, structures, and catalytic properties for ethylene polymerization of bridged [η5,η1-C5H4CHPhArO]TiCl2 complexes

  摘要：

  A number of bridged half-sandwich titanium complexes [eta(5):eta(1)-2-C5H4CHPh-4-R-1-6-(RC6H2O)-C-2]TiCl2 [R-1= H (5), Me (6), Bu-t (7,8); R-2= H (6,7), Bu-t (5,8)] were synthesized from the reaction of their corresponding trimethylsilyl substituted ligand precursors 2-Me3SiC5H4CHPh-4-R-1-6-(RC6H2OSiMe3)-C-2 [R-1= H (1), Me (2), Bu-t (3,4); R-2= H (2,3), Bu-t (1,4)] with TiCl4 in hexane. All new complexes were characterized by H-1 and C-13 NMR spectroscopy. Molecular structures of complexes 5 and 8 were determined by single crystal X-ray diffraction analysis. Upon activation with (AlBu3)-Bu-i/Ph3CB (C6F5)(4), complexes 5-8 exhibit reasonable catalytic activity for ethylene polymerization and copolymerization with 1-hexene, producing polyethylene and poly(ethylene-co-1-hexene) with moderate molecular weights. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.01.010