2-(1-methyl-1H-benzimidazol-2-yl)-1,10-phenanthroline | 1008126-41-7

• 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-(1-methyl-1H-benzimidazol-2-yl)-1,10-phenanthroline
• 英文别名: 2-(1-Methylbenzimidazol-2-yl)-1,10-phenanthroline
• CAS: 1008126-41-7
• 化学式: C₂₀H₁₄N₄
• 分子量: 310.358
• InChiKey: WQNBMNYZJFEDMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 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：

  2-(1-methyl-1H-benzimidazol-2-yl)-1,10-phenanthroline 、 cobalt(II) chloride 以 乙醇 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  2-(Benzimidazol-2-yl)-1,10-phenanthrolyl metal (Fe and Co) complexes and their catalytic behaviors toward ethylene oligomerization

  摘要：

  The N boolean AND N boolean AND N-tridentatc metal complexes, LMCl2 (M = Fe or Co; L represents a ligand of 2-(benzimidazol-2-yl)-l, 10-phenanthrolines), were synthesized and fully characterized with spectroscopic and elemental analysis. The single-crystal X-ray crystallographic analyses revealed complex 1a with a distorted octahedron geometry due to incorporating one methanol molecule, and complexes 5a and 9b with a distorted trigonal-bipyramidal geometry. Upon activation with modified methylaluminoxane (MMAO), these complexes showed good to high catalytic activities toward ethylene oligomerization. The detailed investigations were carried out to disclose the influences of various reaction conditions and nature of ligands on their performing activities of metal complexes. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.11.020
• 作为产物：
  描述：

  2-(1H-benzimidazol-2-yl)-1,10-phenanthroline 、 碘甲烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以51%的产率得到2-(1-methyl-1H-benzimidazol-2-yl)-1,10-phenanthroline
  参考文献：
  名称：

  含 2-(苯并咪唑-2-基)-1,10-菲咯啉的镍配合物：合成、表征及其对乙烯低聚的催化行为

  摘要：

  合成了一系列 2-(苯并咪唑-2-基)-1,10-菲咯啉及其镍 (II) 配合物，并通过元素和光谱分析以及单晶 X 射线晶体学进行了表征。X 射线衍射分析表明，由于溶剂分子的配位，配合物 1a 和 6a 具有六坐标扭曲八面体几何形状，而 3a 是固态的中心对称二聚体，而 5b 显示五坐标扭曲三角双锥几何。用二乙基氯化铝 (Et2AlCl) 活化后，可实现高达 1.27 × 107 g·mol–1(Ni)·h–1 的高催化活性和对 1-丁烯 (90.5 %) 的高选择性。在添加 20 当量的 7a/Et2AlCl 系统中观察到高达 3.95 × 107 g·mol-1(Ni)·h-1 的更高活性。PPh3 作为辅助配体。

  DOI：

  10.1002/ejic.200700392

文献信息

• Improved redox couple for electrochemical and optoelectronic devices
  申请人：Ecole Polytechnique Fédérale de Lausanne (EPFL)

  公开号：EP2492277A1

  公开（公告）日：2012-08-29

  The present invention provides an improved redox couple for electrochemical and optoelectronic devices. The redox couple is based on a complex of a first row transition metal, said complex containing at least one mono-, bi-, or tridentate ligand comprising a substituted or unsubstituted ring or ring system comprising a five-membered N-containing heteroring and/or a six-membered ring comprising at least two heteroatoms, at least one of which being a nitrogen atom, said five- or six-membered heteroring, respectively, comprising at least one double bond. The invention also relates to electrolytes and to the devices containing the complex, and to the use of the complex as a redox couple.

  本发明提供了一种改进的氧化还原偶对，用于电化学和光电子器件。该氧化还原偶对基于第一行过渡金属的配合物，所述配合物至少含有一个单、双或三齿配体，包括一个取代或未取代的环或环系统，其中包括一个五元N-含杂环和/或一个至少含有两个杂原子的六元环，其中至少一个是氮原子，所述的五元或六元杂环分别包括至少一个双键。该发明还涉及电解质、含有该配合物的器件，以及将该配合物用作氧化还原偶对的用途。
• REDOX COUPLE FOR ELECTROCHEMICAL AND OPTOELECTRONIC DEVICES
  申请人：Nazeeruddin Mohammad Khaja

  公开号：US20140060641A1

  公开（公告）日：2014-03-06

  The present invention provides an improved redox couple for electrochemical and optoelectronic devices. The redox couple is based on a complex of a first row transition metal, said complex containing at least one mono-, bi-, or tridentate ligand comprising a substituted or unsubstituted ring or ring system comprising a five-membered N-containing heteroring and/or a six-membered ring comprising at least two heteroatoms, at least one of which being a nitrogen atom, said five- or six-membered heteroring, respectively, comprising at least one double bond. The invention also relates to electrolytes and to the devices containing the complex, and to the use of the complex as a redox couple. The invention further provides electrochemical and/or optoelectronic devices comprising a first and a second electrode and, between said first and second electrode, a charge transport layer, said a charge transport layer comprising tetracyanoborate ([B(CN) 4 ] − ) and a cationic metal complex functioning as redox-couple.

  本发明提供了一种改进的氧化还原偶对，用于电化学和光电子器件。该氧化还原偶对基于第一行过渡金属的配合物，该配合物包含至少一种单、双或三齿配体，包括一个取代或未取代的环或环系统，其中包括一个含氮的五元杂环和/或至少包含两个杂原子的六元环，其中至少一个是氮原子，该五元或六元杂环，分别包括至少一个双键。本发明还涉及电解质、含有该配合物的器件以及将该配合物用作氧化还原偶对的用途。本发明进一步提供了电化学和/或光电子器件，包括第一和第二电极，以及在该第一和第二电极之间的电荷传输层，该电荷传输层包括四氰硼酸盐([B(CN)4]−)和作为氧化还原偶对的阳离子金属配合物。
• METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES
  申请人：Ecole Polytechnique Federale de Lausanne (EPFL)

  公开号：US20160233439A1

  公开（公告）日：2016-08-11

  The invention relates to electrochemical devices comprising complexes of cobalt comprising at least one ligand with a 5- or six membered, N-containing heteroring. The complex are useful as p- and n-dopants, as over of electrochemical devices, in particular in organic semiconductors. The complexes are further useful as over-discharge prevention and overvoltage protection agents.

  本发明涉及一种包含钴配合物的电化学器件，该配合物至少包含一种含有5或6个成员的N-含杂环配体。该配合物可用作p-和n-掺杂剂，用于电化学器件，特别是有机半导体中。此外，该配合物还可用作过放电防止和过电压保护剂。
• US9559321B2
  申请人：——

  公开号：US9559321B2

  公开（公告）日：2017-01-31
• US9779879B2
  申请人：——

  公开号：US9779879B2

  公开（公告）日：2017-10-03