[Zr(η5-C5H5)(η5-(1-Ph-3-Me-C5H3))Cl2] | 214622-18-1

• 英文名称: [Zr(η5-C5H5)(η5-(1-Ph-3-Me-C5H3))Cl2]
• CAS: 214622-18-1
• 化学式: C₁₇H₁₆Cl₂Zr
• 分子量: 382.444
• InChiKey: LHDCZPDLCZBVHK-UHFFFAOYSA-L

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(η5-C5H5)(η5-(1-Ph-3-Me-C5H3))Cl2] 、 甲基锂 以 乙醚 为溶剂， 以64%的产率得到[Zr(η5-C5H5)(η5-(1-Ph-3-Me-C5H3))Me2]
  参考文献：
  名称：

  Group 4 metallocene complexes with non-bridged and tetramethyldisiloxane-bridged methyl-phenyl-cyclopentadienyl ligands: synthesis, characterization and olefin polymerization studies

  摘要：

  The non-vicinal methyl-phenyl-substituted zirconocene dichlorides meso-and rac-[Zr{eta(5)-(1-Ph-3-Me-C5H3)}(2)Cl-2] and [Zr(eta(5)- C5H5){eta(5)-(1-Ph-3-Me-C5H3)}Cl-2] have been isolated by transmetallation of the lithium salt Li(1-Ph-3-Me-C5H3) to ZrCl4(THF)(2) and [Zr(eta(5)-C5H5)Cl-3.DME] (DME=dimethoxyethane), respectively. Similar transmetallation of the lithium salt Li-2[(Me-Ph-C5H2SiMe2)(2)O] to MCl4 gave the ansa-metallocenes [M{eta(5)-(Me-Ph-C5H2SiMe2)(2)O-2}Cl-2] (M=Zr, Hf) for which the meso- and rac-diastereomers were separated. The dimethyl and dibenzyl derivatives of these metallocenes were also prepared and the structure of all of these compounds determined by NMR spectroscopy. The molecular structure of rac-[Zr{eta(5)-(2-Me-4-Ph-C5H2SiMe2)(2)O}Cl-2] was determined by single crystal X-ray diffraction methods. The activity of the dichlorometallocenes/MAO catalysts for ethene and propene polymerization was evaluated. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.059
• 作为产物：
  描述：

  (二甲氧基乙烷)环戊二烯基锆(IV)氯化物 、 3-phenylcyclopentadienyllithium 以 甲苯 为溶剂， 以79%的产率得到[Zr(η5-C5H5)(η5-(1-Ph-3-Me-C5H3))Cl2]
  参考文献：
  名称：

  Group 4 metallocene complexes with non-bridged and tetramethyldisiloxane-bridged methyl-phenyl-cyclopentadienyl ligands: synthesis, characterization and olefin polymerization studies

  摘要：

  The non-vicinal methyl-phenyl-substituted zirconocene dichlorides meso-and rac-[Zr{eta(5)-(1-Ph-3-Me-C5H3)}(2)Cl-2] and [Zr(eta(5)- C5H5){eta(5)-(1-Ph-3-Me-C5H3)}Cl-2] have been isolated by transmetallation of the lithium salt Li(1-Ph-3-Me-C5H3) to ZrCl4(THF)(2) and [Zr(eta(5)-C5H5)Cl-3.DME] (DME=dimethoxyethane), respectively. Similar transmetallation of the lithium salt Li-2[(Me-Ph-C5H2SiMe2)(2)O] to MCl4 gave the ansa-metallocenes [M{eta(5)-(Me-Ph-C5H2SiMe2)(2)O-2}Cl-2] (M=Zr, Hf) for which the meso- and rac-diastereomers were separated. The dimethyl and dibenzyl derivatives of these metallocenes were also prepared and the structure of all of these compounds determined by NMR spectroscopy. The molecular structure of rac-[Zr{eta(5)-(2-Me-4-Ph-C5H2SiMe2)(2)O}Cl-2] was determined by single crystal X-ray diffraction methods. The activity of the dichlorometallocenes/MAO catalysts for ethene and propene polymerization was evaluated. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.059