N-(pyren-1-ylmethyl)-1-[3-[[pyren-1-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine | 1268636-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N-(pyren-1-ylmethyl)-1-[3-[[pyren-1-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
• CAS: 1268636-49-2
• 化学式: C₅₄H₄₂N₄
• 分子量: 746.954
• InChiKey: HNSKFCXHFOFHQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  58
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-芘甲醛 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 乙醇 、 氯仿 、 乙腈 为溶剂， 反应 18.5h， 生成 N-(pyren-1-ylmethyl)-1-[3-[[pyren-1-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
  参考文献：
  名称：

  Ratiometric Fluorescent Chemosensor for Silver Ion at Physiological pH

  摘要：

  Bis-pyrene derivative 1, bearing two pyrene and pyridine groups, was synthesized as a ratiometric fluorescent chemosensor for Ag+ in aqueous solution. Fluorescent chemosensor 1 displayed a selective ratiometric change with Ag+ which was attributed to the excimer-monomer emissions of pyrenes. A mechanism for the binding mode was proposed based on fluorescence changes, NMR experiments, and theoretical calculations.

  DOI：

  10.1021/ic1018967

文献信息

• Ratiometric Fluorescent Chemosensor for Silver Ion at Physiological pH
  作者：Fang Wang、Raju Nandhakumar、Jong Hun Moon、Kwan Mook Kim、Jin Yong Lee、Juyoung Yoon

  DOI：10.1021/ic1018967

  日期：2011.3.21

  Bis-pyrene derivative 1, bearing two pyrene and pyridine groups, was synthesized as a ratiometric fluorescent chemosensor for Ag+ in aqueous solution. Fluorescent chemosensor 1 displayed a selective ratiometric change with Ag+ which was attributed to the excimer-monomer emissions of pyrenes. A mechanism for the binding mode was proposed based on fluorescence changes, NMR experiments, and theoretical calculations.