N,N'-bis(anthracene-9-carbonyl)-N,N'-bis[(S)-1-phenylethyl]terephthalamide | 1007378-95-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N,N'-bis(anthracene-9-carbonyl)-N,N'-bis[(S)-1-phenylethyl]terephthalamide
• 英文别名: 1-N,4-N-bis(anthracene-9-carbonyl)-1-N,4-N-bis[(1S)-1-phenylethyl]benzene-1,4-dicarboxamide
• CAS: 1007378-95-1
• 化学式: C₅₄H₄₀N₂O₄
• 分子量: 780.923
• InChiKey: VPNUPXGTKAEQIS-ZPGRZCPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对苯二甲酰氯 、 N-((1S)-1-Phenylethyl)anthracene-9-carboxamide 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 20.0h， 以40%的产率得到N,N'-bis(anthracene-9-carbonyl)-N,N'-bis[(S)-1-phenylethyl]terephthalamide
  参考文献：
  名称：

  Conformation of S-shaped aromatic imide foldamers and their induced circular dichroism

  摘要：

  Conformation of aromatic foldamers possessing three aromatic rings in a sequence of anthracene - phenylene - anthracene linked with iminodicarbonyl was examined. Their folding structures were confirmed by single crystal X-ray analysis. Two conformations, straight-zigzag and helically-zigzag conformations, were found depending on the substituents at the imide nitrogen atom. Induced circular dichroism originated in the interaction of the upper and bottom anthracene moieties was observed both in solution and in the solid state. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.034

文献信息

• Conformation of S-shaped aromatic imide foldamers and their induced circular dichroism
  作者：Shigeo Kohmoto、Hiroshi Takeichi、Keiki Kishikawa、Hyuma Masu、Isao Azumaya

  DOI：10.1016/j.tetlet.2007.12.034

  日期：2008.2

  Conformation of aromatic foldamers possessing three aromatic rings in a sequence of anthracene - phenylene - anthracene linked with iminodicarbonyl was examined. Their folding structures were confirmed by single crystal X-ray analysis. Two conformations, straight-zigzag and helically-zigzag conformations, were found depending on the substituents at the imide nitrogen atom. Induced circular dichroism originated in the interaction of the upper and bottom anthracene moieties was observed both in solution and in the solid state. (c) 2007 Elsevier Ltd. All rights reserved.