dimethylbis(2-methyl-4-(4-tert-butylphenyl)-1,5,6,7-tetrahydro-s-indacen-1-yl)silane | 910136-11-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: dimethylbis(2-methyl-4-(4-tert-butylphenyl)-1,5,6,7-tetrahydro-s-indacen-1-yl)silane
• 英文别名: Bis[4-(4-tert-butylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
• CAS: 910136-11-7
• 化学式: C₄₈H₅₆Si
• 分子量: 661.058
• InChiKey: GENLIFPJKHYICH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.08
• 重原子数：
  49
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 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(2-methyl-4-(4-tert-butylphenyl)-1,5,6,7-tetrahydro-s-indacen-1-yl)silane 、 氯化锆(IV) 在 n-BuLi 作用下， 以 乙醚 、 正戊烷 为溶剂， 以0%的产率得到rac-μ-(bis[η5-2-methyl-4-(4-tert-butylphenyl)-1,5,6,7-tetrahydro-s-indacen-1-yl]dimethylsilanediyl)dichlorozirconium(IV)
  参考文献：
  名称：

  Novel Effective Racemoselective Method for the Synthesis of ansa-Zirconocenes and Its Use for the Preparation of C₂-Symmetric Complexes Based on 2-Methyl-4-aryltetrahydro(s)indacene as Catalysts for Isotactic Propylene Polymerization and Ethylene–Propylene Copolymerization

  摘要：

  A general and effective method for the racemoselective synthesis of bis-indenyl-type ansa-zirconocenes was proposed and successfully applied for the synthesis of several C-2-symmetric ansa-zirconocenes based on 2-methyl-4-aryltetrahydro-s-indacene. This new racemoselective method relies on ZrCl3NH-tert-Bu as a key reagent. The formation of racemic products was confirmed by NMR studies and single-crystal X-ray diffraction. The novel complexes are potent catalysts for isotactic propylene polymerization and ethylene propylene copolymerization.

  DOI：

  10.1021/om300311k
• 作为产物：
  描述：

  8-(4-(tert-butyl)phenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacene 、 二氯二甲基硅烷 在 正丁基锂 、 copper(l) cyanide 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 dimethylbis(2-methyl-4-(4-tert-butylphenyl)-1,5,6,7-tetrahydro-s-indacen-1-yl)silane
  参考文献：
  名称：

  Novel Effective Racemoselective Method for the Synthesis of ansa-Zirconocenes and Its Use for the Preparation of C₂-Symmetric Complexes Based on 2-Methyl-4-aryltetrahydro(s)indacene as Catalysts for Isotactic Propylene Polymerization and Ethylene–Propylene Copolymerization

  摘要：

  A general and effective method for the racemoselective synthesis of bis-indenyl-type ansa-zirconocenes was proposed and successfully applied for the synthesis of several C-2-symmetric ansa-zirconocenes based on 2-methyl-4-aryltetrahydro-s-indacene. This new racemoselective method relies on ZrCl3NH-tert-Bu as a key reagent. The formation of racemic products was confirmed by NMR studies and single-crystal X-ray diffraction. The novel complexes are potent catalysts for isotactic propylene polymerization and ethylene propylene copolymerization.

  DOI：

  10.1021/om300311k