(η5-(1,2-Me2-4-(PhCC)C5H2))(η5-C5Me5)ZrCl2 | 1296275-67-6

• 英文名称: (η5-(1,2-Me2-4-(PhCC)C5H2))(η5-C5Me5)ZrCl2
• 英文别名: Cp(II)Cp*ZrCl2
• CAS: 1296275-67-6
• 化学式: C₂₅H₂₈Cl₂Zr
• 分子量: 490.627
• InChiKey: HNNRUIONZCZDOV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  pentamethylcyclopentadienylzirconium(IV) trichloride 、 1,2-dimethyl-4-phenylethynylcyclopentadiene 在 (n)BuLi 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 以38%的产率得到(η5-(1,2-Me2-4-(PhCC)C5H2))(η5-C5Me5)ZrCl2
  参考文献：
  名称：

  Alkyne-functionalized metallocene complexes: Synthesis, structure, and catalytic ethylene polymerization

  摘要：

  Reactions of phenylethynyl lithium with substituted cyclopentenones gave the corresponding pendant phenylethynyl substituted cyclopentadienes. Subsequent deprotonation and transmetallation with TiCl4 center dot 2THF, ZrCl4, and Cp*ZrCl3 yielded the alkyne-functionalized metallocene complexes [C5Me4(C=CPh)](2)MCl2 [M = Ti (1), Zr (2)], Cp*[C5Me4(C=CPh)]ZrCl2 (3), and Cp*[C5H2R'(2)(C=CPh)]ZrCl2 [R' = Me (4), Ph (5)]. These complexes were fully characterized by H-1 NMR, C-13 NMR, MS spectra, and elemental analysis. The molecular structure of 2 was determined by single crystal X-ray diffraction analysis. Ethylene polymerization was studied with these complexes in the presence of methylaluminoxane (MAO). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.011