4,4'-bis<<(6-methylpyrid-2-yl)amino>carbonyl>biphenyl | 134418-77-2

• 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: 4,4'-bis<<(6-methylpyrid-2-yl)amino>carbonyl>biphenyl
• CAS: 134418-77-2
• 化学式: C₂₆H₂₂N₄O₂
• 分子量: 422.486
• InChiKey: ACHYTFBMNUJYOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  83.98
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  檀香(SANTALUMALBUM)提取物 在 草酰氯 、 caesium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 4,4'-bis<<(6-methylpyrid-2-yl)amino>carbonyl>biphenyl
  参考文献：
  名称：

  Molecular recognition in the solid state: controlled assembly of hydrogen-bonded molecular sheets

  摘要：

  A novel hydrogen-bonding motif for the control of solid-state structures has been developed. The motif is based on the hydrogen bonding complementarity of carboxylic acids with 2-aminopyridine derivatives. Linking two aminopyridine groups through a rigid aromatic spacer provides a receptor unit that can complex dicarboxylic acids. When there is a good correspondence between the length of the spacer and that of the carboxylic acid, a discrete 1:1 complex is formed. When the dicarboxylic acid is longer than the receptor, an alternating hydrogen-bonded cocrystal occurs with the carboxylates on each diacid binding to different receptors. This motif dominates the cocrystal, forming even when the relative lengths of the diacid and the receptor change. Within the constraints of the alternating ribbon structure, the spatial position of the two components can be varied in a well-defined and predictable manner.

  DOI：

  10.1021/ja00024a036

文献信息

• Molecular recognition in the solid state: controlled assembly of hydrogen-bonded molecular sheets
  作者：Fernando Garcia-Tellado、Steven J. Geib、Shyamaprosad Goswami、Andrew D. Hamilton

  DOI：10.1021/ja00024a036

  日期：1991.11

  A novel hydrogen-bonding motif for the control of solid-state structures has been developed. The motif is based on the hydrogen bonding complementarity of carboxylic acids with 2-aminopyridine derivatives. Linking two aminopyridine groups through a rigid aromatic spacer provides a receptor unit that can complex dicarboxylic acids. When there is a good correspondence between the length of the spacer and that of the carboxylic acid, a discrete 1:1 complex is formed. When the dicarboxylic acid is longer than the receptor, an alternating hydrogen-bonded cocrystal occurs with the carboxylates on each diacid binding to different receptors. This motif dominates the cocrystal, forming even when the relative lengths of the diacid and the receptor change. Within the constraints of the alternating ribbon structure, the spatial position of the two components can be varied in a well-defined and predictable manner.