2-hydroxyl-2-trifluoromethyl-3-ethoxycarbonyl-7-(N,N-diethylamino)-2H-1-chromene | 1332635-71-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 2-hydroxyl-2-trifluoromethyl-3-ethoxycarbonyl-7-(N,N-diethylamino)-2H-1-chromene
• CAS: 1332635-71-8
• 化学式: C₁₇H₂₀F₃NO₄
• 分子量: 359.345
• InChiKey: BGMZDWULOFYASJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  59.0
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-hydroxyl-2-trifluoromethyl-3-ethoxycarbonyl-7-(N,N-diethylamino)-2H-1-chromene 在 对甲苯磺酸 作用下， 以 氯苯 为溶剂， 反应 4.0h， 以91%的产率得到
  参考文献：
  名称：

  Novel coumarin fluorescent dyes: Synthesis, structural characterization and recognition behavior towards Cu(II) and Ni(II)

  摘要：

  A series of novel coumarin dyes (3-12) were designed and synthesized. The structures of the dyes were characterized by IR, H-1 NMR, C-13 NMR, F-19 NMR, MS and single crystal X-ray diffraction. 3-(2-Benzoylhydrazonotrifluoroethyl)-7-(N,N-diethylamino)coumarin (11) could recognize Cu2+ and Ni2+ selectively in aqueous solution. Upon addition of Cu2+ or Ni2+ to 11 a blue shift or a bathochromatic shift of the absorption band was observed while the emission band blue-shifted with decrease in the fluorescence intensity. Upon addition of Cu2+ the color of the solution of 11 changed from orange to red. The results showed that 11 could be used as an optical chemosensor of Cu2+ and Ni2+. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.05.011
• 作为产物：
  描述：

  4-(二乙氨基)水杨醛 、 三氟乙酰乙酸乙酯 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以92%的产率得到2-hydroxyl-2-trifluoromethyl-3-ethoxycarbonyl-7-(N,N-diethylamino)-2H-1-chromene
  参考文献：
  名称：

  Novel coumarin fluorescent dyes: Synthesis, structural characterization and recognition behavior towards Cu(II) and Ni(II)

  摘要：

  A series of novel coumarin dyes (3-12) were designed and synthesized. The structures of the dyes were characterized by IR, H-1 NMR, C-13 NMR, F-19 NMR, MS and single crystal X-ray diffraction. 3-(2-Benzoylhydrazonotrifluoroethyl)-7-(N,N-diethylamino)coumarin (11) could recognize Cu2+ and Ni2+ selectively in aqueous solution. Upon addition of Cu2+ or Ni2+ to 11 a blue shift or a bathochromatic shift of the absorption band was observed while the emission band blue-shifted with decrease in the fluorescence intensity. Upon addition of Cu2+ the color of the solution of 11 changed from orange to red. The results showed that 11 could be used as an optical chemosensor of Cu2+ and Ni2+. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.05.011