(permethylpentalene)Zr(η⁵-cyclopentadienyl)Cl | 1057715-94-2

• 英文名称: (permethylpentalene)Zr(η⁵-cyclopentadienyl)Cl
• 英文别名: (η⁸-C₈Me₆)ZrCpCl；(permethylpentalene)*ZrCpCl；(permethylpentalene)ZrCpCl；Pn*ZrCpCl；(η8-Pn*)(&.eta;5-C5H5)ZrCl
• CAS: 1057715-94-2
• 化学式: C₁₉H₂₃ClZr
• 分子量: 378.069
• InChiKey: LSBVDSXBBLEADF-UHFFFAOYSA-M

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：

  potassium 2,6-diisopropylphenoxide 、 (permethylpentalene)Zr(η⁵-cyclopentadienyl)Cl 以 氘代苯 为溶剂， 反应 0.33h， 生成 (permethylpentalene)Zr(η⁵-cyclopentadienyl)(O-2,6-iPr-C₆H₃)
  参考文献：
  名称：

  Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides

  摘要：

  第四组的全甲基五环戊二烯（C₈Me₆²⁻; Pn*）芳氧基和烷氧基配合物已经合成、充分表征并用于乳酸内酯单体的聚合。

  DOI：

  10.1039/d1dt00252j
• 作为产物：
  描述：

  Li₂Pn*TMEDA_0.102 、 二氯二茂锆 以 苯 为溶剂， 反应 24.0h， 以12%的产率得到(permethylpentalene)Zr(η⁵-cyclopentadienyl)Cl
  参考文献：
  名称：

  WO2008/110774

  摘要：

  公开号：

文献信息

• [EN] COMPLEXES AND THEIR USE FOR OLEFIN POLYMERIZATION<br/>[FR] COMPLEXES ET LEUR UTILISATION POUR LA POLYMÉRISATION D'OLÉFINES
  申请人：SCG CHEMICALS CO LTD

  公开号：WO2017060690A1

  公开（公告）日：2017-04-13

  Permethylpentalene based metallocene complexes are disclosed. The complexes are effective catalysts/initiators in the polymerisation of olefins. Also disclosed are compositions comprising the metallocene complexes, as well as uses of the complexes and compositions in olefin polymerisation.

  基于Permethylpentalene的茂金属烯复合物被披露。这些复合物在烯烃聚合中是有效的催化剂/引发剂。还披露了包含这些茂金属烯复合物的组合物，以及这些复合物和组合物在烯烃聚合中的用途。
• CO₂ activation by permethylpentalene amido zirconium complexes
  作者：Elizabeth A. Hamilton、Alexander F. R. Kilpatrick、Zoë R. Turner、Duncan A. X. Fraser、Jean-Charles Buffet、Dermot O'Hare

  DOI：10.1039/d1dt00770j

  日期：——

  We report the synthesis and characterisation of new permethylpentalene zirconium bis(amido) and permethylpentalene zirconium cyclopentadienyl mono(amido) complexes, and their reactivity with carbon dioxide.

  我们报告了新的全甲基戊烯锆双（酰胺基）和全甲基戊烯锆环戊二烯基单（酰胺基）配合物的合成和表征，以及它们与二氧化碳的反应性。
• Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene
  作者：F. Mark Chadwick、Robert T. Cooper、Andrew E. Ashley、Jean-Charles Buffet、Dermot M. O’Hare

  DOI：10.1021/om5004754

  日期：2014.7.28

  well as the effect of permethylation of the cyclopentadienyl moiety. The complexes have been tested for their efficacy as catalysts for the solution polymerization of ethylene, and Pn*ZrCpCl was found to give the highest activity of 6993 kg mol–1 h–1 bar–1 at 80 °C with a [MAO]0/[Zr]0 ratio of 1000 and 2 bar pressure of ethylene gas in hexane.

  一系列群组4 permethylpentalene环戊二烯混合的夹心复合已经合成包括单-和双-环戊二烯基衍生物PN * MCP 2- X氯X（PN * =η 8 -C 8我6，M =钛，锆，铪，X = 0，1）和monopentamethylcyclopentadienyl物种PN * MCP *氯（PN * =η 8 -C 8我6，M = Ti，Zr和Hf）。所有化合物均通过包括单晶X射线衍射在内的一系列技术进行了表征，从而可以比较下降基团的趋势以及环戊二烯基部分的全甲基化作用。已对该配合物作为乙烯溶液聚合催化剂的功效进行了测试，发现PN * ZrCPCl在80°C下以[MAO] 0的最高活性为6993 kg mol –1 h –1 bar –1。/ [Zr] 0比率1000和2 bar的乙烯气体在己烷中的压力。
• Titanium and Zirconium Permethylpentalene Complexes, Pn*MCp^RX, as Ethylene Polymerization Catalysts
  作者：Duncan A. X. Fraser、Zoë R. Turner、Jean-Charles Buffet、Dermot O’Hare

  DOI：10.1021/acs.organomet.6b00417

  日期：2016.8.22

  A family of group 4 permethylpentalene complexes, Pn*(MCpX)-X-R (M = Ti, Zr; Cp-R = Cp, Cp-Me, Cp-iBu, Cp-nBu, Cp-Me3, Ind; X = Cl, Me), has been synthesized and fully characterized by multinuclear NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction studies. These complexes were immobilized on an insoluble polymethylaluminoxane (sMAO), MAO-modified silica (ssMAO), and a MAO-modified layered double hydroxide (LDH-MAO). The effect of substitution around the Cp ligand was examined in relation to their performance (activity, M-W, PDI, polymer morphology) for ethylene polymerization measured both in solution and in slurry phase. Maximum solution-phase activities of 3585 kg/mol center dot h center dot bar were recorded at modest [Zr]:[Al] ratios of 1:250. These were compared to the activities recorded using the equivalent solid-supported complexes, and it was observed that sMAO was a superior support material with average increases in activity of 5.3 and 2.3 times relative to ssMAO and LDH-MAO, respectively. Most striking was the observation that slurry-phase ethylene polymerization activities using equivalent precatalysts supported on sMAO showed enhanced performance compared to the solution phase up to a maximum of 4486 kg/mol center dot h center dot bar.