| 1451010-48-2

• CAS: 1451010-48-2
• 化学式: C₁₉H₁₇ClF₃FeN₄O₂*Cl
• 分子量: 517.118
• InChiKey: BKAXXMSASHPUKZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• 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

• 作为产物：
  描述：

  iron(II) chloride tetrahydrate 、 2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,10-phenanthroline 以 四氢呋喃 为溶剂， 反应 6.0h， 以75.8%的产率得到
  参考文献：
  名称：

  Highly active and trans-1,4 specific polymerization of 1,3-butadiene catalyzed by 2-pyrazolyl substituted 1,10-phenanthroline ligated iron (II) complexes

  摘要：

  A new family of iron (II) complexes (2a-h) bearing tridentate 2-pyrazolyl substituted 1,10-phenanthroline ligands were successfully prepared and characterized by IR spectroscopy, elemental analysis, and mass spectra. Complexes 2a-f and 2h were further confirmed by the X-ray crystallographic analysis. 2a, 2b, 2e, and 2f adopted distorted trigonal bipyramidal configuration. 2c displayed a distorted octahedron formed by six coordinated nitrogen atoms of the two ligands. Linked by two bridged chloride atoms, complex 2d was a centrosymmetric dimmer, and complex 2h adopted a six-coordinate distorted octahedral geometry due to the coordination of two solvent molecules. These complexes activated by alkylaluminum were examined in butadiene polymerization. In combination with (AlBu3)-Bu-i, complexes 2a-c exhibited high catalytic activity (73.5%-94.3%) at 20 degrees C, whereas other complexes exhibited much lower activity. Interestingly, the activity and selectivity of the complexes increased as increasing polymerization temperature. In particular, 2b and 2c displayed both high activity (99% and 80%, respectively) and trans-1,4 selectivity (95.6% and 96.2%, respectively) at 60 degrees C The trans-1,4 selectivity of 2b varied as alkylaluminum used as a cocatalyst, in the following order: (AlBu3)-Bu-i > AlOct(3) > AlEt3 > AlMe3, whereas much lower trans-1,4 selectivity was observed in the cases of using MAO and MMAO. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2013.07.021