4-cyclopenta-1,3-dien-1-ylbutylbenzene;dichlorozirconium(2+) | 278188-49-1

• 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: 4-cyclopenta-1,3-dien-1-ylbutylbenzene;dichlorozirconium(2+)
• CAS: 278188-49-1
• 化学式: C₃₀H₃₄Cl₂Zr
• 分子量: 556.73
• InChiKey: BZTMKQSAMPZDJQ-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：

  4-cyclopenta-1,3-dien-1-ylbutylbenzene;dichlorozirconium(2+) 在 CH₃CH₂Li 作用下， 以 乙醚 、 甲苯 为溶剂， 以35%的产率得到4-cyclopenta-1,3-dien-1-ylbutylbenzene;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) 、 4-Cyclopenta-1,3-dien-1-ylbutylbenzene 在 n-butyllithium 作用下， 以 乙醚 、 正己烷 为溶剂， 以70%的产率得到4-cyclopenta-1,3-dien-1-ylbutylbenzene;dichlorozirconium(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

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。