N-[2-[4-[2,4-bis[(1-hydroxy-2,2-dimethylpropylidene)amino]-5-[1-[2-[(1-hydroxy-2,2-dimethylpropylidene)amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]-2,2-dimethylpropanimidic acid | 1620484-60-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[2-[4-[2,4-bis[(1-hydroxy-2,2-dimethylpropylidene)amino]-5-[1-[2-[(1-hydroxy-2,2-dimethylpropylidene)amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]-2,2-dimethylpropanimidic acid
• CAS: 1620484-60-7
• 化学式: C₄₂H₅₂N₁₀O₄
• 分子量: 760.939
• InChiKey: OQPSZNZVLLFUOJ-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 密度：
  1.22±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  56
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N,N'-(4,6-diethynyl-1,3-phenylene)bis(2,2-dimethylpropanamide) 、 N-(2-azidophenyl)-2,2-dimethylpropanamide 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 以92%的产率得到N-[2-[4-[2,4-bis[(1-hydroxy-2,2-dimethylpropylidene)amino]-5-[1-[2-[(1-hydroxy-2,2-dimethylpropylidene)amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]-2,2-dimethylpropanimidic acid
  参考文献：
  名称：

  Preorganized Aryltriazole Foldamers as Effective Transmembrane Transporters for Chloride Anion

  摘要：

  Preorganized aryltriazole foldamers 1 and 2 were designed and synthesized. NMR studies and X-ray analysis demonstrate that 1 adopts a crescent conformation driven by a series of continuous hydrogen bonds at the periphery of the foldamer, whereas 2 displays a coil conformation. NMR titrations reveal that the affinities of fully preorganized foldamer 1 for halogen anions are much stronger that those of partially preorganized foldamer 2. Furthermore, it is found that such full preorganization makes 1 an effective transmembrane transporter for the chloride anion across a lipid bilayer.

  DOI：

  10.1021/ol501772v