sodium bis(2-pyridylmethyl)(8-butanoateoxy-quinoline-2-methyl)amine | 1029251-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: sodium bis(2-pyridylmethyl)(8-butanoateoxy-quinoline-2-methyl)amine
• 英文别名: Sodium;4-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxybutanoate
• CAS: 1029251-87-3
• 化学式: C₂₆H₂₅N₄O₃*Na
• 分子量: 464.499
• InChiKey: CNYHFUMIUNEEDQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.14
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  91.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  zinc(II) perchlorate 、 sodium bis(2-pyridylmethyl)(8-butanoateoxy-quinoline-2-methyl)amine 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Modulating Affinities of Di-2-picolylamine (DPA)-Substituted Quinoline Sensors for Zinc Ions by Varying Pendant Ligands

  摘要：

  We have developed a series of di-2-picolylamine (DPA)-substituted quinoline sensors, HQ1-4, bearing a pendant ligand at the 8 position of quinoline. UV-vis spectra of HQ1-4 showed similar variations to that of HQ5 but with different varying extents upon the titration of zinc ions. Fluorescence intensities of HQ1, HQ3, and HQ4 were enhanced 4-6 times upon the addition of 1 equiv of zinc ions under an aqueous buffer. Somewhat unexpectedly, HQ2 is nonfluorescent in the presence of metal ions, including zinc ions. The affinities of HQ sensors are distributed in a broad range from nanomolarity to femtomolarity by varying the pendant ligands near the coordination unit. More importantly, these new sensors exhibited very high selectivity for Zn2+ over Na+, K+, Mg2+, and Ca2+ at the millimolar level and over other transition metal ions at the micromolar level, except for Cd2+. These findings indicated that the incorporations of the pendant groups exerted no effect on the spectroscopic properties and selectivity of the parent fluorescent sensor, with the exception of HQ2. Finally, X-ray crystal structures of ZnHQ's revealed that the auxiliary pendant groups at the 8 position participated in zinc coordination and were able to tune the affinities of HQ sensors.

  DOI：

  10.1021/ic702393z