6-difluoro-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)ethylidene)benzenamine | 1092500-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 6-difluoro-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)ethylidene)benzenamine
• 英文别名: N-(2,6-difluorophenyl)-1-[6-(1-methylbenzimidazol-2-yl)pyridin-2-yl]ethanimine
• CAS: 1092500-95-2
• 化学式: C₂₁H₁₆F₂N₄
• 分子量: 362.382
• InChiKey: WRJJHAUXUFDFOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  iron(II) chloride tetrahydrate 、 6-difluoro-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)ethylidene)benzenamine 以 乙醇 为溶剂， 以79.5%的产率得到Fe(6-difluoro-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)ethylidene)benzenamine)2FeCl4
  参考文献：
  名称：

  Tridentate NˆNˆN iron(II) and cobalt(II) complexes of ion-paired structures: Synthesis, characterization and magnetism

  摘要：

  Two kinds of ion-paired iron and cobalt complexes ligated by 2-(benzimidazolyl)-6-(1-(arylimino)ethyl)pyridyl [iron (1a) and cobalt (1b)] or N-(pyridin-2-yl)methylene)-quinolin-8-amine (iron, 2a) were synthesized and well characterized by IR, EA and X-ray diffraction analysis. They were confirmed to be in the form of [ML2](2+)[MCl4](2-) or [ML2](2+)2[MCl4](1-) and the cations took octahedral coordinated geometry. Structure research indicated that complex 1a was in low-spin state while complex 1b was in high-spin state. Furthermore, their magnetic susceptibility measurements were performed and the complexes showed interesting magnetic properties. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.03.027

文献信息

• Iron(III) complexes bearing 2-(benzimidazole)-6-(1-aryliminoethyl)pyridines: Synthesis, characterization and their catalytic behaviors towards ethylene oligomerization and polymerization
  作者：Peng Hao、Yanjun Chen、Tianpengfei Xiao、Wen-Hua Sun

  DOI：10.1016/j.jorganchem.2009.09.032

  日期：2010.1

  series of iron(III) complexes ligated by 2-(benzimidazole)-6-(1-aryliminoethyl)pyridines was synthesized and examined by 1H NMR, ESI-MS, IR spectroscopic, elemental analysis and X-ray photoelectron spectroscopy (XPS). Activated with methylaluminoxane (MAO), all ferric complexes exhibited good activities (up to 5.38 × 106 g mol−1(Fe) h−1) of ethylene oligomerization and polymerization, and resultant oligomers

  合成了一系列由2-（苯并咪唑）-6-（1-芳基乙基）吡啶连接的铁（III）配合物，并通过1 H NMR，ESI-MS，IR光谱，元素分析和X射线光电子能谱（XPS）进行了检查）。用甲基铝氧烷（MAO）活化后，所有铁络合物均表现出良好的活性（高达5.38×10 6  g mol -1（Fe）h -1乙烯的低聚和聚合反应，所得的低聚物和聚乙烯蜡显示出高的α-烯烃特征，同时低聚物的分布大多类似于Schulz-Flory规则。详细研究了各种反应参数，配体的体积较小和吸电子取代基可以增强其铁配合物的催化活性。观察结果解释了铁（II）配合物执行不稳定活动的原因。