dimethylbis-(4,5-benzoindenyl)silane | 151074-65-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: dimethylbis-(4,5-benzoindenyl)silane
• 英文别名: bis(3H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane
• CAS: 151074-65-6
• 化学式: C₂₈H₂₄Si
• 分子量: 388.584
• InChiKey: MEJHEJGRAHMQRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  dimethylbis-(4,5-benzoindenyl)silane 、 氯化锆(IV) 在 butyllithium 作用下， 以 乙醚 、 正己烷 、 二氯甲烷 为溶剂， 以18%的产率得到{dimethylsilanediylbis(4,5-benzoindenyl)}zirconium dichloride
  参考文献：
  名称：

  The Influence of Aromatic Substituents on the Polymerization Behavior of Bridged Zirconocene Catalysts

  摘要：

  The synthesis of seven new bridged zirconocenes is described, which make isotactic polypropylene when used in polymerizations of propylene with methylaluminoxane as cocatalyst. Their polymerization behavior in propylene and ethylene polymerizations is examined and discussed. Aromatic substituents in appropriate positions of the zirconocene ligand frame result in catalysts with activities, stereospecificities, and polypropylene molecular weights much higher than those of any previously described metallocene system. By structure variations it is demonstrated that the effectiveness of these substitutions strongly depends on their position and on a nonincremental synergism with alkyl substituents on the ligand frame. The high activities of the systems can be explained well by electronic effects, whereas steric effects obviously play the more important role for the high stereospecificities and high molecular weights of the polymers.

  DOI：

  10.1021/om00015a032