1,1'-bis(pentafluorophenyl)hafnocene dimethide | 602335-57-9

• 英文名称: 1,1'-bis(pentafluorophenyl)hafnocene dimethide
• CAS: 602335-57-9
• 化学式: C₂₄H₁₄F₁₀Hf
• 分子量: 670.849
• InChiKey: MXRMQMMUZPRRQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1,1'-bis(pentafluorophenyl)hafnocene dimethide 、 三苯基氯甲烷 以 苯 为溶剂， 以64%的产率得到
  参考文献：
  名称：

  茂金属二甲基与三苯基甲基氯化物和苄基溴的选择性卤代甲基化反应

  摘要：

  几种4号茂金属二甲基与三苯甲基氯或苄基溴的NMR规模反应选择性地产生了相应的L 2 M（Me）X络合物。在制备规模上进行了五个反应，包括Cp 2 Zr（Me）Cl和Ind 2 Zr（Me）Cl的合成，以提供有用的L 2 M（Me）Cl复合物的分离产率。

  DOI：

  10.1021/om0305014
• 作为产物：
  描述：

  1,1'-bis(pentafluorophenyl)hafnocene dichloride 、 甲基锂 以 甲苯 为溶剂， 以54%的产率得到1,1'-bis(pentafluorophenyl)hafnocene dimethide
  参考文献：
  名称：

  Analysis of Metallocene−Methylalumoxane Methide Transfer Processes in Solution Using a ¹⁹F NMR Spectroscopic Probe

  摘要：

  The metallocenes (C6F5C5H4)CpZrMe2 (1, Cp = C5H5) and (C6F5C5H4)(2)MMe2 (2a, M = Zr; 2b, M = Hf) were treated with B(C6F5)(3) and, separately, with commercial methylalumoxane (MAO, depleted of excess Me3Al). The ensuing methide transfer reactions were followed by F-19 NMR. Spectra of the "activated" species obtained using MAO and excess B(C6F5)3 were strikingly similar, suggesting that similar "cation-like" species are formed using either organo-Lewis acid, and the MAO-activated species were tentatively formulated as (C6F5C5H4)CpZrMe+ Me[AlMeO](n)(-) and as (C6F5C5H4)(2)MMe+ Me[AlMeO](n)(-) (M = Zr, Hf). The relative amount of L2MMe2 and [L2MMe](+) species observed in solution was measured as a function of [MAO] and as a function of [M] at constant [MAO]. Results are interpreted in terms of a canonical model in which MAO contains relatively few highly active Lewis acidic sites.

  DOI：

  10.1021/om030171n