3-(2,6-diisopropylphenylimino)-but-1-en-2-olato (η1-benzyl)(trimethylphosphine)nickel | 956590-26-4

• 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: 3-(2,6-diisopropylphenylimino)-but-1-en-2-olato (η1-benzyl)(trimethylphosphine)nickel
• CAS: 956590-26-4
• 化学式: C₂₆H₃₈NNiOP
• 分子量: 470.258
• InChiKey: WEZZUDBAWFNYNY-DPSBJRLESA-M

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：
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• sp3杂化的碳原子比例：
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• 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：

  3-(2,6-diisopropylphenylimino)-but-1-en-2-olato (η1-benzyl)(trimethylphosphine)nickel 、 三(五氟苯基)硼烷 以 甲苯 为溶剂， 以93%的产率得到2-tris(pentafluorophenyl)borate-3-(2,6-diisopropylphenylimino)-but-1-ene(η3-benzyl)nickel
  参考文献：
  名称：

  A zwitterionic nickel–olefin initiator for the preparation of high molecular weight polyethylene

  摘要：

  The reaction of the sodium 3-(2,6-diisopropylphenylimino)-but-1-en-2-olato with Ni(PMe3)2(eta(1)-CH2C6H5)Cl provides 3-(2,6-diisopropylphenylimino)-but-1-en-2-olato(eta(1)benzyl)(trimethylphosphine) nickel (1), which was structurally characterized. The addition of 2 equiv. of B(C6F5)(3) to 1 results in the formation of 2-tris(pentafluorophenyl)borate-3-(2,6-diisopropylphenylimino)-but-1-ene(eta(3)-benzyl)nickel (2), in which the borane coordinates to the O site of the ligand and forces binding of the olefin unit to the nickel center. The solid-state structure of 2 shows a zwitterionic structure with substantial positive charge at the nickel center. Compound 2 can be used to initiate the homopolymerization of ethylene to yield high molecular weight polyethylene. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.05.016
• 作为产物：
  描述：

  (η1-CH2Ph)NiCl(PMe3)2 、 以 甲苯 为溶剂， 以74%的产率得到3-(2,6-diisopropylphenylimino)-but-1-en-2-olato (η1-benzyl)(trimethylphosphine)nickel
  参考文献：
  名称：

  A zwitterionic nickel–olefin initiator for the preparation of high molecular weight polyethylene

  摘要：

  The reaction of the sodium 3-(2,6-diisopropylphenylimino)-but-1-en-2-olato with Ni(PMe3)2(eta(1)-CH2C6H5)Cl provides 3-(2,6-diisopropylphenylimino)-but-1-en-2-olato(eta(1)benzyl)(trimethylphosphine) nickel (1), which was structurally characterized. The addition of 2 equiv. of B(C6F5)(3) to 1 results in the formation of 2-tris(pentafluorophenyl)borate-3-(2,6-diisopropylphenylimino)-but-1-ene(eta(3)-benzyl)nickel (2), in which the borane coordinates to the O site of the ligand and forces binding of the olefin unit to the nickel center. The solid-state structure of 2 shows a zwitterionic structure with substantial positive charge at the nickel center. Compound 2 can be used to initiate the homopolymerization of ethylene to yield high molecular weight polyethylene. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.05.016