1,1'-((1S,1'S)-1,4-phenylenebis((((S)-1-phenylethyl)amino)methylene))bis(naphthalen-2-ol) | 878674-96-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,1'-((1S,1'S)-1,4-phenylenebis((((S)-1-phenylethyl)amino)methylene))bis(naphthalen-2-ol)
• CAS: 878674-96-5
• 化学式: C₄₄H₄₀N₂O₂
• 分子量: 628.814
• InChiKey: ZFZDHRBBVUZYNK-RODKPPIRSA-N

物化性质

• 沸点：
  792.0±55.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.28
• 重原子数：
  48.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.52
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,1'-((1S,1'S)-1,4-phenylenebis((((S)-1-phenylethyl)amino)methylene))bis(naphthalen-2-ol) 、 间二氯苄 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成
  参考文献：
  名称：

  The novel macrocyclic compounds as chiral solvating agents for determination of enantiomeric excess of carboxylic acids

  摘要：

  The novel macrocyclic compounds 1-8 and acyclic compound 9 were designed and synthesized. (1)H NMR studies demonstrated that 1 and 2 were the best chiral solvating agents, and are effective for the determination of the enantiomeric excess of a wide range of alpha-chiral carboxylic acids. Large non-equivalent chemical shifts (up to 411.2 Hz) can be achieved in the presence of 1 and 2. Quantitative analyses of a series of mandelic acids with different enantiomeric purities demonstrate that 1 and 2 are excellent chiral solvating agents for carboxylic acids. (C) 2008 Elsevier Ltd. All Fights reserved.

  DOI：

  10.1016/j.tetasy.2008.06.012