2,2'-(1,2-ethanediylbis(iminomethylene))bis(pyridine N-oxide) | 155260-92-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2'-(1,2-ethanediylbis(iminomethylene))bis(pyridine N-oxide)
• 英文别名: N,N'-bis[(1-oxidopyridin-1-ium-2-yl)methyl]ethane-1,2-diamine
• CAS: 155260-92-7
• 化学式: C₁₄H₁₈N₄O₂
• 分子量: 274.323
• InChiKey: OUXUUBXATNHGDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 2,2'-(1,2-ethanediylbis(iminomethylene))bis(pyridine N-oxide) 在 ZnCl₂ 作用下， 以 乙醇 为溶剂， 生成 aqua(2,2'-(1,2-ethanediylbis(iminomethylene))bis(pyridineN-oxide))copper(II) perchlorate monohydrate
  参考文献：
  名称：

  Tetrahydropoxen: 2,2′-(1,2-ethanediylbis(iminomethylene)) bis(pyridine N-oxide) and its complexes. X-ray structure of [Cu(H4-poxen)H2O](ClO4)2·H2O and [Co(poxen)H2O](ClO4)2

  摘要：

  The condensation reaction of 2-pyridinecarboxaldehyde N-oxide with ethylenediamine yields the tetradentate ligand L-1 = poxen. Hydrogenation then produces tetrahydropoxen, L-2 = H-4-poxen, which has been isolated in a free form. Several metal complexes of the formula [M(H-4-poxen)](ClO4)(2) . nH(2)O have been prepared (M=Mn, Cu and Zn) and investigated. The X-ray structure of [Cu(H-4-poxen)H2O] (ClO4)(2) . H2O shows that the copper atom is pentacoordinate, the poxen ligand forming a base of the tetragonal pyramid; the aqua ligand is situated in the apical position inside the cavity formed by the ligand arms. In contrast, in the case of [Co(poxen)H2O] (ClO4)(2), the apical aqua ligand is situated outside the 'cavity' formed by the dehydrogenated ligand arms. (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00324-7