2-(3-Phenylpyrazol-1-yl)-1,10-phenanthroline | 1428871-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 2-(3-Phenylpyrazol-1-yl)-1,10-phenanthroline
• CAS: 1428871-17-3
• 化学式: C₂₁H₁₄N₄
• 分子量: 322.369
• InChiKey: NJHAQWQKNUJJIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  iron(II) chloride tetrahydrate 、 2-(3-Phenylpyrazol-1-yl)-1,10-phenanthroline 以 四氢呋喃 为溶剂， 反应 6.0h， 以86.5%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

文献信息

• Synthesis, characterization and 1,3-butadiene polymerization behaviors of cobalt complexes bearing 2-pyrazolyl-substituted 1,10-phenanthroline ligands
  作者：Baolin Wang、Dirong Gong、Jifu Bi、Quanquan Dai、Chunyu Zhang、Yanming Hu、Xuequan Zhang、Liansheng Jiang

  DOI：10.1002/aoc.2972

  日期：2013.4

  A series of cobalt(II) complexes containing tridentate 2‐pyrazolyl‐substituted 1,10‐phenanthroline ligands (L) with the general formula [LCoCl2] have been successfully synthesized and fully identified by IR spectroscopy, elemental analysis and mass spectroscopy. Cobalt complexes Co4–Co8 were further confirmed by X‐ray crystallographic analysis, and all the complexes adopted distorted trigonal pyramid

  已成功合成了含有通式[LCoCl 2 ]的三齿2-吡唑基取代的1,10-菲咯啉配体（L）的一系列钴（II）配合物，并通过红外光谱，元素分析和质谱法进行了全面鉴定。X射线晶体学分析进一步证实了钴配合物Co4-Co8，并且所有配合物均在钴中心周围采用了扭曲的三角锥几何形状。与甲基铝氧烷合用时，复合物显示出高顺式1,3-丁二烯聚合反应的-1,4-选择性。配合物的催化活性主要取决于取代基的性质及其在配体吡唑基环上的位置。在配体的吡唑基环上具有较大取代基的配合物显示出较低的催化活性，吸电子取代基的引入增强了活性。聚合行为几乎不受[Al] / [Co]比率变化的影响，但随着聚合温度的升高，活性和顺式-1,4含量均略有下降。版权所有©2013 John Wiley＆Sons，Ltd.