trifluoromethanesulfonato(1,2,3-tris(2,6-dimethylphenylimino)butyl-κC(1),N(3))(2,6-dimethylphenylisocyanide)nickel | 1204414-91-4

• 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: trifluoromethanesulfonato(1,2,3-tris(2,6-dimethylphenylimino)butyl-κC(1),N(3))(2,6-dimethylphenylisocyanide)nickel
• CAS: 1204414-91-4
• 化学式: C₃₈H₃₉F₃N₄NiO₃S
• 分子量: 747.504
• InChiKey: QJCLEDGKEDIQPR-BIQRFGCTSA-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：

  trifluoromethanesulfonato(1,2,3-tris(2,6-dimethylphenylimino)butyl-κC(1),N(3))(2,6-dimethylphenylisocyanide)nickel 以 乙醚 、 丙酮 为溶剂， 生成 (bromo[1,2,3-tris(2,6-dimethylphenylimino)butyl](2,6-dimethylphenylisocyanide)nickel)(dibromo)zinc(II)
  参考文献：
  名称：

  Mono- and bimetallic ethylene polymerization catalysts having an azanickellacyclopentene skeleton

  摘要：

  A series of azanickellacyclopentene complexes having iodo, bromo, chloro, or triflate ligand on the Ni center were prepared, and are subjected to studies on ethylene polymerization catalysis. Activity of these mononuclear azanickellacyclopentene complexes was increased in the order, Ni-Cl < Ni-I approximate to Ni-Br < Ni-OTf; this is explained by the performance of (pseudo)halogeno ligand as a leaving group from the nickel center. Methylalminoxane (MAO) and inexpensive AlEt2Cl can be used as the cocatalyst. Mechanistic consideration suggested the involvement of neutral Ni-alkyl intermediates as proposed in the SHOP type catalytic system. Interestingly, the catalytic activity is significantly increased by incorporating the second metals into the diimino moiety of mononuclear complex. Two factors should be considered to explain this activity enhancement. One is the increased rigidity of the azanickellacyclopentene ligand backbone, and the other is the possibility of the presence of the two active centers in one molecule. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.09.007
• 作为产物：
  描述：

  iodo(1,2,3-tris(2,6-dimethylphenylimino)butyl-κC(1),N(3))(2,6-dimethylphenylisocyanide)nickel 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以89%的产率得到trifluoromethanesulfonato(1,2,3-tris(2,6-dimethylphenylimino)butyl-κC(1),N(3))(2,6-dimethylphenylisocyanide)nickel
  参考文献：
  名称：

  Mono- and bimetallic ethylene polymerization catalysts having an azanickellacyclopentene skeleton

  摘要：

  A series of azanickellacyclopentene complexes having iodo, bromo, chloro, or triflate ligand on the Ni center were prepared, and are subjected to studies on ethylene polymerization catalysis. Activity of these mononuclear azanickellacyclopentene complexes was increased in the order, Ni-Cl < Ni-I approximate to Ni-Br < Ni-OTf; this is explained by the performance of (pseudo)halogeno ligand as a leaving group from the nickel center. Methylalminoxane (MAO) and inexpensive AlEt2Cl can be used as the cocatalyst. Mechanistic consideration suggested the involvement of neutral Ni-alkyl intermediates as proposed in the SHOP type catalytic system. Interestingly, the catalytic activity is significantly increased by incorporating the second metals into the diimino moiety of mononuclear complex. Two factors should be considered to explain this activity enhancement. One is the increased rigidity of the azanickellacyclopentene ligand backbone, and the other is the possibility of the presence of the two active centers in one molecule. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.09.007