| 552851-91-9

• CAS: 552851-91-9
• 化学式: C₄H₁₀O₂*C₈H₉Cl₃Zr
• 分子量: 392.865
• InChiKey: VUGVUXIRBNKVPS-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：

  、 lithium cyclopentadienide 以 not given 为溶剂， 生成 (η(5)-CH2CHCH2C5H4)(η(5)C5H5)ZrCl2
  参考文献：
  名称：

  Self-immobilized and polymerized miscellaneous metallocene catalysts for ethylene polymerization

  摘要：

  Metallocene complexes with an allyl group (eta(5)-C3H5C5H4)(eta(5)-(BuC5H4)-Bu-t)ZrCl2 (2), (eta(5)-C3H5C5H4)(eta(5)-(BuC5H4)-Bu-t)ZrCl2 (3) and (eta(5)- C3H5C5H4)(eta(5) -(Bu2C5H3)-Bu-t)ZrCl2 (4) have been synthesized and characterized. The polymerized metallocene catalyst 5 is prepared by the copolymerization of 3 with styrene in the presence of radical initiator. In the presence of MAO, 2-5 can be used as catalysts for ethylene polymerization with high activities. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.03.030
• 作为产物：
  描述：

  乙二醇二甲醚 、 ZrCI₄(Me2S)₂ 、 allylcyclopentadienyltrimethylsilane 以 乙二醇二甲醚 为溶剂， 生成
  参考文献：
  名称：

  Self-immobilized and polymerized miscellaneous metallocene catalysts for ethylene polymerization

  摘要：

  Metallocene complexes with an allyl group (eta(5)-C3H5C5H4)(eta(5)-(BuC5H4)-Bu-t)ZrCl2 (2), (eta(5)-C3H5C5H4)(eta(5)-(BuC5H4)-Bu-t)ZrCl2 (3) and (eta(5)- C3H5C5H4)(eta(5) -(Bu2C5H3)-Bu-t)ZrCl2 (4) have been synthesized and characterized. The polymerized metallocene catalyst 5 is prepared by the copolymerization of 3 with styrene in the presence of radical initiator. In the presence of MAO, 2-5 can be used as catalysts for ethylene polymerization with high activities. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.03.030

文献信息

• Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization
  作者：Rene S. Rojas、Brian C. Peoples、Alan R. Cabrera、Mauricio Valderrama、Roland Fröhlich、Gerald Kehr、Gerhard Erker、Thomas Wiegand、Hellmut Eckert

  DOI：10.1021/om200536z

  日期：2011.12.12

  (R–B(C6F5)2- - -NC- - -R′) occurs, resulting in an organometallic polymer (5). In addition to the CN-free [nacnac]Cp-allylZrCl2 (6), the hydroborated derivative [(nacnac)Cp-(CH2)3-B(C6F5)2] (7) was also prepared. Complexes 2–7 were activated with methylaluminoxane (MAO) and gave active catalysts for ethylene polymerization. The polymers produced were linear and had high molecular weight, with polydispersities

  通过与（Cp-烯丙基）ZrCl 3（dme）反应将1的钾盐金属化，得到配合物（NC-nacnac）Cp-烯丙基ZrCl 2（2）。加入1摩尔当量的B（C 6 F 5）3得到[（C 6 F 5）3 B-NC-nacnac] Cp-烯丙基ZrCl 2（3），随后加入1摩尔当量的HB（C 6） F 5）2至3给出了硼氢化物[[（（C 6 F 5）3 B-NC-nacnac）Cp-（CH 2）3 -B（C 6 F 5）2 ] ZrCl 2（4）。2与1摩尔当量的HB（C 6 F 5）2进行硼氢化处理，得到不溶的产物。该产物通过11 B和13 C固态NMR和IR充分表征，表明发生硼氢化反应，随后形成分子间加合物（R–B（C 6 F 5）2 ---NC---R'） ，得到有机金属聚合物（5）。除了不含CN的[nacnac] Cp-烯丙基ZrCl 2（6），还制备了硼氢化衍生物[（nacnac）Cp-（CH