N,N,N',N'-tetrakis((N-ethyl-2-benzimidazolyl)methyl)-1,2-ethanediamine | 118510-47-7

• 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: N,N,N',N'-tetrakis((N-ethyl-2-benzimidazolyl)methyl)-1,2-ethanediamine
• 英文别名: N,N,N',N'-tetrakis[(1-ethylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
• CAS: 118510-47-7
• 化学式: C₄₂H₄₈N₁₀
• 分子量: 692.91
• InChiKey: CBWHJWBQBLEZSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  三氯化铁 、 N,N,N',N'-tetrakis((N-ethyl-2-benzimidazolyl)methyl)-1,2-ethanediamine 以 乙腈 为溶剂， 以40%的产率得到
  参考文献：
  名称：

  Di-iron(III) complex of a hexadentate ligand with inequivalent iron coordination sites

  摘要：

  A binuclear iron(III) complex [ClFe(N6)FeCl3]Cl2 . 3H2O has been synthesized, where N6 is the N-ethyl derivative of the hexadentate ligand N,N,N',N'-tetrakis[(2-benzimidazolyl) methyl--1,2-ethanediamine. Variable temperature magnetic susceptibility in the temperature range of 80 < T < 300 K was least squares fitted, with J = -7.0 cm-1, supporting weak exchange coupling between the iron atoms. Mossbauer spectra for the di-iron complex at room temperature consist of two quadruple doublets of nearly equal area. The isomer shifts lie within the range for high spin ferric ions, while the small quadruple splittings are not consistent with the presence of an oxo bridge. Mossbauer data support the presence of distinct coordination environments for the two iron atoms. Such coordination environment asymmetry is also found for iron sites in purple acid phosphatase.

  DOI：

  10.1016/s0277-5387(00)83023-5
• 作为产物：
  描述：

  NCI 344032 、 碘乙烷 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以92%的产率得到N,N,N',N'-tetrakis((N-ethyl-2-benzimidazolyl)methyl)-1,2-ethanediamine
  参考文献：
  名称：

  包含多个苯并咪唑官能团的化合物的N-烷基化的简便方法

  摘要：

  已经开发了一种用于包含多个苯并咪唑基团的配体系统的N-烷基化的简便有效方法，该方法涉及在二甲基亚砜中的粉状KOH和作为烷基化剂的烷基卤的基本介质。

  DOI：

  10.1016/0040-4039(88)85078-0

文献信息

• POLYDENTATE LIGAND METAL COMPLEX
  申请人：Kuramochi Yusuke

  公开号：US20120211706A1

  公开（公告）日：2012-08-23

  The present invention provides a metal complex that has excellent durability, and a device and the like having excellent durability that uses such a metal complex. Specifically, the present invention provides a metal complex comprising (a) a polydentate ligand having denticity of five or more that includes a heteroaromatic ring which contains two or more atoms selected from the group consisting of a nitrogen atom, an oxygen atom, and a sulfur atom, and (b) an ion of a metal selected from the group consisting of cerium, praseodymium, ytterbium, and lutetium; a composition comprising the metal complex and a charge transport material; an organic thin film obtained by using the metal complex or composition; and a device obtained by using the metal complex, composition, or organic thin film.

  本发明提供了一种具有优异耐久性的金属配合物，以及使用这种金属配合物的具有优异耐久性的设备等。具体地，本发明提供了一种金属配合物，包括(a)具有五个或更多配位位点的多齿配体，其中包括一个含有来自氮原子、氧原子和硫原子的组成的两个或更多原子的杂环芳香环，以及(b)来自铈、镨、镱和镥等金属的离子；包括所述金属配合物和电荷传输材料的组合物；通过使用金属配合物或组合物获得的有机薄膜；以及通过使用金属配合物、组合物或有机薄膜获得的设备。
• Tripathi, Adarsh K.; Sharma, K.K.; Mathur, Pavan, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1991, vol. 30, # 5, p. 400 - 405
  作者：Tripathi, Adarsh K.、Sharma, K.K.、Mathur, Pavan

  DOI：——

  日期：——
• A convenient procedure for the N-alkylation of compounds containing multiple benzimidazole functionalities
  作者：David R. Chapman、Christopher A. Reed

  DOI：10.1016/0040-4039(88)85078-0

  日期：1988.1

  A facile and efficient method for the N-alkylation of ligand systems containing multiple benztmidazole groups has been developed, involving a basic media of powdered KOH in di-methylsulfoxide and alkyl halides as alkylating agents.

  已经开发了一种用于包含多个苯并咪唑基团的配体系统的N-烷基化的简便有效方法，该方法涉及在二甲基亚砜中的粉状KOH和作为烷基化剂的烷基卤的基本介质。
• Di-iron(III) complex of a hexadentate ligand with inequivalent iron coordination sites
  作者：Adarsh K. Tripathi、Pavan Mathur、J.S. Baijal

  DOI：10.1016/s0277-5387(00)83023-5

  日期：1994.3

  A binuclear iron(III) complex [ClFe(N6)FeCl3]Cl2 . 3H2O has been synthesized, where N6 is the N-ethyl derivative of the hexadentate ligand N,N,N',N'-tetrakis[(2-benzimidazolyl) methyl--1,2-ethanediamine. Variable temperature magnetic susceptibility in the temperature range of 80 < T < 300 K was least squares fitted, with J = -7.0 cm-1, supporting weak exchange coupling between the iron atoms. Mossbauer spectra for the di-iron complex at room temperature consist of two quadruple doublets of nearly equal area. The isomer shifts lie within the range for high spin ferric ions, while the small quadruple splittings are not consistent with the presence of an oxo bridge. Mossbauer data support the presence of distinct coordination environments for the two iron atoms. Such coordination environment asymmetry is also found for iron sites in purple acid phosphatase.