(2S,4S)-N2,N4-bis((S)-1-(naphthalen-2-yl)ethyl)-6,10-dioxa-8(2,6)-pyridina-1,5(1,2)-dinaphthalena-3(1,3)-benzenacyclodecaphane-2,4-diamine | 1012324-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (2S,4S)-N2,N4-bis((S)-1-(naphthalen-2-yl)ethyl)-6,10-dioxa-8(2,6)-pyridina-1,5(1,2)-dinaphthalena-3(1,3)-benzenacyclodecaphane-2,4-diamine
• CAS: 1012324-68-3
• 化学式: C₅₉H₄₉N₃O₂
• 分子量: 832.057
• InChiKey: YJVHBMHDQYGTIP-LQXVQREESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.05
• 重原子数：
  64.0
• 可旋转键数：
  6.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55.41
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,6-二氯甲基吡啶 、 1,1'-((1S,1'S)-1,3-phenylenebis((((S)-1-(naphthalen-2-yl)ethyl)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， 以86.7%的产率得到(2S,4S)-N2,N4-bis((S)-1-(naphthalen-2-yl)ethyl)-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：

  Macrocyclic compounds as chiral solvating agents for phosphinic, phosphonic, and phosphoric acids

  摘要：

  Novel macrocyclic compounds, synthesized and used as chiral solvating agents for phosphinic, phosphonic, and phosphoric acids, are reported in this article. NMR (H-1 NMR and/or P-31 NMR) studies demonstrate that these acids have large nonequivalent chemical shifts in the presence of these macrocyclic compounds. Quantitative analyses of a series of the selected phosphinic acids with different enantiomeric purities show the high accuracy of this method. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.12.004

文献信息

• The novel macrocyclic compounds as chiral solvating agents for determination of enantiomeric excess of carboxylic acids
  作者：Fengnian Ma、Xiumin Shen、Xin Ming、Junmei Wang、Jie Ou-Yang、Cong Zhang

  DOI：10.1016/j.tetasy.2008.06.012

  日期：2008.7

  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.