1,7-bis(2-pyridyl)-2,6-bis(2-hydroxy-3-hydroxymethyl-5-methylbenzyl)-2,6-diazaheptane | 1226763-85-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,7-bis(2-pyridyl)-2,6-bis(2-hydroxy-3-hydroxymethyl-5-methylbenzyl)-2,6-diazaheptane
• 英文别名: 2-[[3-[[2-Hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]-6-(hydroxymethyl)-4-methylphenol；2-[[3-[[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]-6-(hydroxymethyl)-4-methylphenol
• CAS: 1226763-85-4
• 化学式: C₃₃H₄₀N₄O₄
• 分子量: 556.705
• InChiKey: LEARQOYDSHFOFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  41
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,7-bis(2-pyridyl)-2,6-bis(2-hydroxy-3-hydroxymethyl-5-methylbenzyl)-2,6-diazaheptane 、 cobalt(II) acetate 在 (C₂H₅)3N 作用下， 以 乙醇 为溶剂， 以61%的产率得到[Co(1,7-bis(2-pyridyl)-2,6-bis(2-hydroxy-3-hydroxymethyl-5-methylbenzyl)-2,6-diazaheptane(-2H))]
  参考文献：
  名称：

  Preparation of heterodinuclear complexes with phenol-based compartmental ligands containing hexa- and tetradentate coordination sites

  摘要：

  A series of mono- and heterodinuclear complexes of type (MLH2)-H-n and (MLM)-M-n' where M = Co-III, Zn-II and M' = Cu-II, Zn-II have been synthesized and characterized. The non-macrocyclic ligands (LH4)-H-n contain two geometrically distinct compartments, hexa- (N4O2) and tetradentate (O-4) compartments which are bridged by phenolic oxygen atoms. The dinuclear complexes were prepared in stepwise reactions. The non-macrocyclic ligand showed a site specificity of metal ions upon the synthetic procedure. The results obtained reveals that in case of using ligand (LH4)-H-2 only an isomer (trans-pyridines and cis-phenolates) among three possible geometrical isomers is formed. The metal site scrambling in the prepared complexes were not also observed in the reaction conditions used. The crystal structure of [(CrLH2)-L-III-H-2]ClO4 was determined and discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.01.023

文献信息

• Preparation of heterodinuclear complexes with phenol-based compartmental ligands containing hexa- and tetradentate coordination sites
  作者：Hamid Golchoubian、Leila Rostami、Benson Kariuki

  DOI：10.1016/j.poly.2010.01.023

  日期：2010.3

  A series of mono- and heterodinuclear complexes of type (MLH2)-H-n and (MLM)-M-n' where M = Co-III, Zn-II and M' = Cu-II, Zn-II have been synthesized and characterized. The non-macrocyclic ligands (LH4)-H-n contain two geometrically distinct compartments, hexa- (N4O2) and tetradentate (O-4) compartments which are bridged by phenolic oxygen atoms. The dinuclear complexes were prepared in stepwise reactions. The non-macrocyclic ligand showed a site specificity of metal ions upon the synthetic procedure. The results obtained reveals that in case of using ligand (LH4)-H-2 only an isomer (trans-pyridines and cis-phenolates) among three possible geometrical isomers is formed. The metal site scrambling in the prepared complexes were not also observed in the reaction conditions used. The crystal structure of [(CrLH2)-L-III-H-2]ClO4 was determined and discussed. (C) 2010 Elsevier Ltd. All rights reserved.