4-(N,N-dimethylamino)naphthalen-1-ylacrylic acid ethyl ester | 321841-75-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-(N,N-dimethylamino)naphthalen-1-ylacrylic acid ethyl ester
• CAS: 321841-75-2
• 化学式: C₁₇H₁₉NO₂
• 分子量: 269.343
• InChiKey: XUYJWSCFVYBWEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(N,N-dimethylamino)naphthalen-1-ylacrylic acid ethyl ester 、 β-环糊精 以 水 为溶剂， 生成
  参考文献：
  名称：

  Spectral modulation of charge transfer fluorescence probe encapsulated inside aqueous and non-aqueous β-cyclodextrin nanocavities

  摘要：

  In this work, we report the spectral modulations of a intramolecular charge transfer (ICT) molecule ethyl ester of N,N-dimethylaminonaphthyl-(acrylic)-acid (EDMANA) when encapsulated in the water and N,N-dimethylformamide (DMF) solution of beta-CD nanocavities. From the nature of the Benesi-Hildebrand (B-H) plots, the stoichiometry of the host guest inclusion complexes are found to be 1:1 in water beta-CD solution and both 1:1 and 1:2 in DMF beta-CD solution. The preferential location and difference in orientation of EDMANA molecule inside the beta-CD cavity has been accessed by analysis of the effect of acid and metal cation Ni2+ on the spectral characteristics in both the media. In case of 1:1 complex, the polar donor group prefers to expose to bulk aqueous phase capable of binding with H+ and Ni2+ ions and the acceptor to the hydrophobic interior. On the other hand, the acceptor group remains exposed to the non-polar bulk phase and the donor group is orientated preferentially inside the non-polar core in 1:2 inclusion complexes. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.10.024