1,1'-((1S,1'S)-1,3-phenylenebis((methyl((S)-1-phenylethyl)amino)methylene))bis(naphthalen-2-ol) | 878674-97-6

• 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)-1,3-phenylenebis((methyl((S)-1-phenylethyl)amino)methylene))bis(naphthalen-2-ol)
• CAS: 878674-97-6
• 化学式: C₄₆H₄₄N₂O₂
• 分子量: 656.868
• InChiKey: TZOHOYSKRRTUQU-HHUIXNJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.97
• 重原子数：
  50.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  46.94
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,6-二氯甲基吡啶 、 1,1'-((1S,1'S)-1,3-phenylenebis((methyl((S)-1-phenylethyl)amino)methylene))bis(naphthalen-2-ol) 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 (2S,4S)-N2,N4-dimethyl-N2,N4-bis((S)-1-phenylethyl)-6,10-dioxa-8(2,6)-pyridina-1,5(1,2)-dinaphthalena-3(1,3)-benzenacyclodecaphane-2,4-diamine
  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