bis[3-ethyl-3-(trimethylstannyl)indenyl]methane | 638167-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: bis[3-ethyl-3-(trimethylstannyl)indenyl]methane
• 英文别名: [1-ethyl-3-[(3-ethyl-3-trimethylstannylinden-1-yl)methyl]inden-1-yl]-trimethylstannane
• CAS: 638167-50-7
• 化学式: C₂₉H₄₀Sn₂
• 分子量: 626.057
• InChiKey: YIRKOPBGGYWXGE-UHFFFAOYSA-N

物化性质

• 沸点：
  548.9±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.62
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  bis[3-ethyl-3-(trimethylstannyl)indenyl]methane 、 氯化锆(IV) 以 甲苯 为溶剂， 以45%的产率得到meso-CH2(3,3'-ethyl-bis(indenyl))zirconium dichloride
  参考文献：
  名称：

  Tailoring the Metallocene Structure To Obtain LLDPE by Ethene Homopolymerization: An Experimental and Theoretical Study

  摘要：

  The mechanism of formation of branched polyethylene in the polymerization promoted by meso-metallocene/MAO systems has been investigated by combining DFT calculations and experimental results on differently featured meso-zirconocenes. A possible explanation for the required meso structure in the formation of branches considers a competition of ethene insertion and beta-hydrogen transfer to the monomer. General mechanistic considerations in order to design catalytic systems able to synthesize LLDPE by ethene homopolymerization have been outlined.

  DOI：

  10.1021/om7006562
• 作为产物：
  描述：

  三甲基氯化锡 、 bis[1-ethyl-3-indenyl]methane 在 n-C₄H₉Li 作用下， 以 乙醚 、 正己烷 为溶剂， 以70%的产率得到bis[3-ethyl-3-(trimethylstannyl)indenyl]methane
  参考文献：
  名称：

  Tailoring the Metallocene Structure To Obtain LLDPE by Ethene Homopolymerization: An Experimental and Theoretical Study

  摘要：

  The mechanism of formation of branched polyethylene in the polymerization promoted by meso-metallocene/MAO systems has been investigated by combining DFT calculations and experimental results on differently featured meso-zirconocenes. A possible explanation for the required meso structure in the formation of branches considers a competition of ethene insertion and beta-hydrogen transfer to the monomer. General mechanistic considerations in order to design catalytic systems able to synthesize LLDPE by ethene homopolymerization have been outlined.

  DOI：

  10.1021/om7006562