[Zr(η-C5H4CMe2C6H4Me-p)Cl3(dme)] | 261631-49-6

• 英文名称: [Zr(η-C5H4CMe2C6H4Me-p)Cl3(dme)]
• CAS: 261631-49-6
• 化学式: C₁₉H₂₇Cl₃O₂Zr
• 分子量: 485.005
• InChiKey: NSWZBXCUKQUEIS-UHFFFAOYSA-K

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：

  [Zr(η-C5H4CMe2C6H4Me-p)Cl3(dme)] 、 甲基氯化镁 以 乙醚 为溶剂， 以30%的产率得到[Zr(η-C5H4CMe2C6H4Me-p)Me3]
  参考文献：
  名称：

  Chemistry of Half-Sandwich Compounds of Zirconium:  Evidence for the Formation of the Novel ansa Cationic−Zwitterionic Complex [Zr(η:η-C₅H₄CMe₂C₆H₄Me-p)(μ-MeB(C₆F₅)₃)]⁺[MeB(C₆F₅)₃]^-

  摘要：

  The compound [Zr(eta-C5H4CMe2C6H4Me-p)Cl-3(dme)] (1) has been prepared. Methylation affords the compound [Zr(eta-C5H4CMe2C6H4Me-p)Me-3] (2), and benzylation of 1 yields [Zr- (eta-C5H4CMe2C6H4Me-p)(CH2Ph)(3)] (3). Reaction of 2 with [Ph3C](+)[B(C6F5)(4)](-) at -60 degrees C gives the ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)Me-2](+)[B(C6F5)(4)](-) (4a), which has been characterized by 1D and 2D NMR spectroscopy. Reaction of 2 with an excess (1.5 equiv) of B(C6F5)(3) yields not only the ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)Me-2](+)[MeB(C6F5)(3)](-) (4b) but also the novel cationic zwitterionic ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)(mu-MeBC6F5)(3))](+)[MeB(C6F5)(3)](-) (5) The dynamic behavior of complexes 4b and 5 was extensively studied by NMR spectroscopy. Reaction of 3 with [Ph3C](+)[B(C6F5)(4)](-) at -60 degrees C yields the ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)(CH2Ph)(2)](+)[B(C6F5)(4)](-) (6), containing sigma-bound benzyl ligands.

  DOI：

  10.1021/om990499+
• 作为产物：
  描述：

  氯化锆(IV) 、 乙二醇二甲醚 、 tolyltrimethylsilane 在 二甲基硫 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 以80%的产率得到[Zr(η-C5H4CMe2C6H4Me-p)Cl3(dme)]
  参考文献：
  名称：

  Chemistry of Half-Sandwich Compounds of Zirconium:  Evidence for the Formation of the Novel ansa Cationic−Zwitterionic Complex [Zr(η:η-C₅H₄CMe₂C₆H₄Me-p)(μ-MeB(C₆F₅)₃)]⁺[MeB(C₆F₅)₃]^-

  摘要：

  The compound [Zr(eta-C5H4CMe2C6H4Me-p)Cl-3(dme)] (1) has been prepared. Methylation affords the compound [Zr(eta-C5H4CMe2C6H4Me-p)Me-3] (2), and benzylation of 1 yields [Zr- (eta-C5H4CMe2C6H4Me-p)(CH2Ph)(3)] (3). Reaction of 2 with [Ph3C](+)[B(C6F5)(4)](-) at -60 degrees C gives the ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)Me-2](+)[B(C6F5)(4)](-) (4a), which has been characterized by 1D and 2D NMR spectroscopy. Reaction of 2 with an excess (1.5 equiv) of B(C6F5)(3) yields not only the ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)Me-2](+)[MeB(C6F5)(3)](-) (4b) but also the novel cationic zwitterionic ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)(mu-MeBC6F5)(3))](+)[MeB(C6F5)(3)](-) (5) The dynamic behavior of complexes 4b and 5 was extensively studied by NMR spectroscopy. Reaction of 3 with [Ph3C](+)[B(C6F5)(4)](-) at -60 degrees C yields the ansa complex [Zr(eta:eta-C5H4CMe2C6H4Me-p)(CH2Ph)(2)](+)[B(C6F5)(4)](-) (6), containing sigma-bound benzyl ligands.

  DOI：

  10.1021/om990499+