N1-(6-methylpyridin-2-yl)-N3-(pyridin-3-yl)isophthalamide | 1367456-77-6

• 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: N1-(6-methylpyridin-2-yl)-N3-(pyridin-3-yl)isophthalamide
• CAS: 1367456-77-6
• 化学式: C₁₉H₁₆N₄O₂
• 分子量: 332.362
• InChiKey: QQWFQCCSNXPZCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  83.98
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N1-(6-methylpyridin-2-yl)-N3-(pyridin-3-yl)isophthalamide 在 ammonium hexafluorophosphate 作用下， 以 甲醇 、 氯仿 、 水 、 乙腈 为溶剂， 反应 48.33h， 生成 C₃H₅O₃^(1-)*C₁₆H₃₆N⁽¹⁺⁾*C₃₄H₂₇N₄O₂⁽¹⁺⁾*F₆P^(1-)
  参考文献：
  名称：

  Anthracene-based hetero bisamide chemosensor in fluorescence sensing of monocarboxylates over monocarboxylic acids

  摘要：

  A fluorescent chemosensor 1 with different amide moieties as recognition elements has been designed and synthesised. The recognition behaviour of the chemosensor towards various monocarboxylates and their conjugate acids has been evaluated. Although the sensor 1 shows significant quenching of emission of anthracene in CH3CN, it shows an increase in emission in CHCl3 containing 2% CH3CN upon complexation of aliphatic monocarboxylates. Receptor 1 shows selectivity for acetate, propanoate and dihydrogen phosphate over the other anions studied under different conditions. The binding features have been established by H-1 NMR, UV-vis and fluorescence spectroscopic methods.

  DOI：

  10.1080/10610278.2011.566614
• 作为产物：
  描述：

  3-氨基吡啶 、 2-氨基-6-甲基吡啶 、 间苯二甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以18%的产率得到N1-(6-methylpyridin-2-yl)-N3-(pyridin-3-yl)isophthalamide
  参考文献：
  名称：

  Anthracene-based hetero bisamide chemosensor in fluorescence sensing of monocarboxylates over monocarboxylic acids

  摘要：

  A fluorescent chemosensor 1 with different amide moieties as recognition elements has been designed and synthesised. The recognition behaviour of the chemosensor towards various monocarboxylates and their conjugate acids has been evaluated. Although the sensor 1 shows significant quenching of emission of anthracene in CH3CN, it shows an increase in emission in CHCl3 containing 2% CH3CN upon complexation of aliphatic monocarboxylates. Receptor 1 shows selectivity for acetate, propanoate and dihydrogen phosphate over the other anions studied under different conditions. The binding features have been established by H-1 NMR, UV-vis and fluorescence spectroscopic methods.

  DOI：

  10.1080/10610278.2011.566614