(1S,1'S)-N,N'-((1S,1'S)-1,3-phenylenebis((2-(pyridin-2-ylmethoxy)naphthalen-1-yl)methylene))bis(1-phenylethanamine) | 1060662-26-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1S,1'S)-N,N'-((1S,1'S)-1,3-phenylenebis((2-(pyridin-2-ylmethoxy)naphthalen-1-yl)methylene))bis(1-phenylethanamine)
• CAS: 1060662-26-1
• 化学式: C₅₆H₅₀N₄O₂
• 分子量: 811.039
• InChiKey: AGLXRSSPDYRIBE-KEPWWEDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.82
• 重原子数：
  62.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  68.3
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1-[(S)-[3-[(S)-(2-hydroxynaphthalen-1-yl)-[[(1S)-1-phenylethyl]amino]methyl]phenyl]-[[(1S)-1-phenylethyl]amino]methyl]naphthalen-2-ol 、 2-氯甲基吡啶盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以91.4%的产率得到(1S,1'S)-N,N'-((1S,1'S)-1,3-phenylenebis((2-(pyridin-2-ylmethoxy)naphthalen-1-yl)methylene))bis(1-phenylethanamine)
  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