2-Cyclopenta-2,4-dien-1-ylethylbenzene;zirconium(4+);dichloride | 274679-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Cyclopenta-2,4-dien-1-ylethylbenzene;zirconium(4+);dichloride
• CAS: 274679-35-5
• 化学式: C₂₆H₂₆Cl₂Zr
• 分子量: 500.622
• InChiKey: DVUDZYPLSCCCAR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 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：

  2-Cyclopenta-2,4-dien-1-ylethylbenzene;zirconium(4+);dichloride 在 CH₃CH₂Li 作用下， 以 乙醚 、 甲苯 为溶剂， 以35%的产率得到2-cyclopenta-1,3-dien-1-ylethylbenzene;dichlorozirconium;zirconium(2+)
  参考文献：
  名称：

  The reaction of [η5:C5H4–(CH2)n–C6H5]2MCl2 complexes (n=1–5; M=Zr, Hf) with EtLi

  摘要：

  The reaction of metallocene complexes of the type [eta(5):C5H4-(CH2)(n)-C6H5](2)MCl2 (n = 1-5; M = Zr, Hf) with EtLi gives the mono nuclear ethyl derivatives [eta(5):C5H4-(CH2)(n)-C6H5](2)M(Et)Cl and the metallacycles [eta(5):C5H4-(CH2)(n)-C6H5][eta(5):C5H4-(CH2)(n)- eta(1):C6H4]MEt. A large excess of EtLi affords the dinuclear species [eta(5):C5H4-(CH2)(n)-eta(6):C6H5](2)M2Cl2 (n = 2-5). All types of complexes can be activated with methylalumoxane (MAO) and then be used for catalytic polymerization of ethylene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.12.040
• 作为产物：
  描述：

  氯化锆(IV) 、 2-Cyclopenta-1,3-dien-1-ylethylbenzene 在 n-butyllithium 作用下， 以 乙醚 、 正己烷 为溶剂， 以70%的产率得到2-Cyclopenta-2,4-dien-1-ylethylbenzene;zirconium(4+);dichloride
  参考文献：
  名称：

  The reaction of [η5:C5H4–(CH2)n–C6H5]2MCl2 complexes (n=1–5; M=Zr, Hf) with EtLi

  摘要：

  The reaction of metallocene complexes of the type [eta(5):C5H4-(CH2)(n)-C6H5](2)MCl2 (n = 1-5; M = Zr, Hf) with EtLi gives the mono nuclear ethyl derivatives [eta(5):C5H4-(CH2)(n)-C6H5](2)M(Et)Cl and the metallacycles [eta(5):C5H4-(CH2)(n)-C6H5][eta(5):C5H4-(CH2)(n)- eta(1):C6H4]MEt. A large excess of EtLi affords the dinuclear species [eta(5):C5H4-(CH2)(n)-eta(6):C6H5](2)M2Cl2 (n = 2-5). All types of complexes can be activated with methylalumoxane (MAO) and then be used for catalytic polymerization of ethylene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.12.040

文献信息

• ω-Phenylalkyl-substituted zirconocene dichloride complexes as catalyst precursors for homogeneous ethylene polymerization
  作者：Erik H Licht、Helmut G Alt、M.Manzurul Karim

  DOI：10.1016/s0022-328x(00)00009-7

  日期：2000.4

  The reaction of ω-phenyl-1-bromoalkanes with cyclopentadienyl sodium, indenyl lithium or fluorenyl lithium forms ω-phenylalkyl-substituted ligand precursors in high yields. The corresponding anions react with zirconium tetrachloride to give ω-phenylalkyl-substituted zirconocene dichloride complexes. After activation with methylaluminoxane, these complexes are highly active catalysts for homogeneous

  ω-苯基-1-溴代烷烃与环戊二烯基钠，茚基锂或芴基锂的反应以高收率形成了ω-苯基烷基取代的配体前体。相应的阴离子与四氯化锆反应，得到ω-苯基烷基取代的二茂锆二氯化物络合物。用甲基铝氧烷活化后，这些络合物是用于均相乙烯聚合的高活性催化剂。ω-苯基取代基的性质在很大程度上决定了催化剂的聚合活性。比较了28种新配合物的聚合结果。
• Synthesis, characterization and catalytic properties of metallacyclic zirconocene complexes
  作者：Erik H Licht、Helmut G Alt、M.Manzurul Karim

  DOI：10.1016/s0022-328x(00)00004-8

  日期：2000.4

  metallacyclic zirconocene complexes has been synthesized by the reaction of ω-phenyl-substituted zirconocene dichloride complexes with two equivalents of n-butyllithium via CH bond-activation reactions on the phenyl ring. After activation with methyl aluminoxane, these metallacycles are up to five times more active ethylene polymerization catalysts than the original metallocene dichloride complexes similarly

  通过ω-苯基取代的二茂锆二氯化物络合物与二当量的正丁基锂通过苯环上的CH键活化反应反应，已经合成了22种金属环茂锆新络合物。用甲基铝氧烷活化后，这些金属环丙烷的活性乙烯聚合催化剂的活性是同样被活化的原始金属茂二氯化物络合物的五倍。