tris-(2-pyridone-5-carbonacid)-glycerol ester | 182132-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: tris-(2-pyridone-5-carbonacid)-glycerol ester
• 英文别名: 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-, 1,2,3-propanetriyl ester；2,3-bis[(6-oxo-1H-pyridine-3-carbonyl)oxy]propyl 6-oxo-1H-pyridine-3-carboxylate
• CAS: 182132-70-3
• 化学式: C₂₁H₁₇N₃O₉
• 分子量: 455.381
• InChiKey: JITRZKDXIAZKOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  166
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  甘油 、 6-羟基烟酸 在 吡啶 、 氯化亚砜 作用下， 生成 tris-(2-pyridone-5-carbonacid)-glycerol ester
  参考文献：
  名称：

  Networks of hydrogen bonds between pyridones - structure breaking effects by organic solvents and sensor applications

  摘要：

  AbstractPyridone shows self‐assembling properties via hydrogen bonds as can be shown by IR‐spectroscopy. In this way networks are formed by intermolecular interaction of tris‐(2‐pyridone‐5‐carbonacid)‐glycerol ester, each molecule containing three units of pyridone. The structure breaking effect of organic solvents leads to a reduced ordering of this material and can be observed directly by hyperchromic changes of the UV‐absorbance. This process is traced by capacity measurements as the unpaired structures of pyridone possess a strong dipole moment. For this purpose the permittivity of an interdigital capacitor (IDC) coated with a thin solid film of the network‐forming material is measured in an atmosphere of organic solvent vapours.

  DOI：

  10.1002/bbpc.19961000808