1,5-bis(N-methylbenzimidazole-2-yl)-3-oxopentane | 87372-80-3

• 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: 1,5-bis(N-methylbenzimidazole-2-yl)-3-oxopentane
• 英文别名: 1-Methyl-2-[2-[2-(1-methylbenzimidazol-2-yl)ethoxy]ethyl]benzimidazole
• CAS: 87372-80-3
• 化学式: C₂₀H₂₂N₄O
• 分子量: 334.421
• InChiKey: NHAGCMNWIVSNSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  575.7±35.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 1,5-bis(N-methylbenzimidazole-2-yl)-3-oxopentane 以 甲醇 为溶剂， 以75%的产率得到[Ni(Mbeo)2](ClO4)2*2CH3CN
  参考文献：
  名称：

  Some nickel(II) complexes with pentadentate and tridentate heterocyclic N- and S-donor ligands

  摘要：

  High-spin Ni(II) complexes of the linear pentadentate ligand 2,6-bis([2'-aminophenylthio]methyl)pyridine (Batp) and the tridentate ligands ([2'-aminophenylthio]ethyl)pyridine (Atep) 1,5-bis(N-methylbenzimidazol-2'-yl)-3-oxapentane (Mbeo) have been prepared. (Crystal structures of the complexes [Ni(Batp)(H2O)](CF3SO3)(2) (2) and [Ni(Atep)(2)](ClO4)(2) (3) reveal pseudooctahedral coordination. Tetragonal distortion in [Ni(Mbeo)(2)](ClO4)(2) (5) is evident from the longer Ni-O and shorter Ni-N bond lengths. From the electronic spectrum of 5, the tetragonal distortion parameter D-t and the in-plane Dq(xy) and axial Dq(z) Iigand field parameters are calculated. The three NI(II) complexes exhibit irreversible cathodic electrochemistry. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00189-4

文献信息

• Addison, Anthony W.; Burke, Philip J.; Henrick, Kim, Inorganic Chemistry, 1983, vol. 22, # 24, p. 3645 - 3653
  作者：Addison, Anthony W.、Burke, Philip J.、Henrick, Kim、Rao, T. Nageswara、Sinn, Ekkehard

  DOI：——

  日期：——