15,155-dimethoxy-3,6,10,13,17,20,24,27-octaaza-1,15(1,3)-dibenzenacyclooctacosaphane-2,13,16,27-tetraene-12,152,8,22-tetraol | 1444308-58-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 15,155-dimethoxy-3,6,10,13,17,20,24,27-octaaza-1,15(1,3)-dibenzenacyclooctacosaphane-2,13,16,27-tetraene-12,152,8,22-tetraol
• CAS: 1444308-58-0
• 化学式: C₃₂H₄₈N₈O₆
• 分子量: 640.783
• InChiKey: ZWRPJILNNUWCJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.42
• 重原子数：
  46.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  196.94
• 氢给体数：
  8.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  2,6-二甲酰-4-甲氧基苯酚 、 1,3-bis[(2-aminoethyl)amino]-2-propanol 以 甲醇 为溶剂， 生成 15,155-dimethoxy-3,6,10,13,17,20,24,27-octaaza-1,15(1,3)-dibenzenacyclooctacosaphane-2,13,16,27-tetraene-12,152,8,22-tetraol
  参考文献：
  名称：

  Syntheses and structures of tetranuclear Zn(II) complexes with in situ generated macrocyclic Schiff base ligands: Applications in Zn2+ sensing

  摘要：

  Three novel Zn(II) complexes, [(Zn4LCl4)-Cl-1]center dot 3H(2)O (1), [(Zn4LCl4)-Cl-2]center dot 2DMF (2) and [(Zn4LCl4)-Cl-3]center dot H2O (3), have been synthesized and structurally characterized. In these complexes, interesting 32-membered dodecadentate macrocyclic ligands were generated in situ by '2 + 2' type condensation reactions between a tetraamine and various dialdehydes. All the complexes are isostructurally tetranuclear Zn(II) complexes, containing endogenous alkoxo and phenoxo bridges. Applications of the macrocyclic ligands as Zn2+ sensors have been investigated. Take H4L1 for example, it exhibits a 4-fold fluorescence enhancement upon the addition of 2 equiv. of Zn2+ in MeOH. (C) 2013 Yong-Shu Xie. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.03.030