N-(3',6'-bis(diethylamino)-3-oxo-4a’,9a’-dihydrospiro [isoindoline-1,90-xanthen]-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide | 1431612-81-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(3',6'-bis(diethylamino)-3-oxo-4a’,9a’-dihydrospiro [isoindoline-1,90-xanthen]-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide
• 英文别名: N-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]-7-(diethylamino)-2-oxochromene-3-carboxamide
• CAS: 1431612-81-5
• 化学式: C₄₂H₄₅N₅O₅
• 分子量: 699.85
• InChiKey: NLQSZEKXUNDBAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  52
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  94.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  7-(二乙胺基)香豆素-3-甲酸乙酯 在 氯化亚砜 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 13.0h， 生成 N-(3',6'-bis(diethylamino)-3-oxo-4a’,9a’-dihydrospiro [isoindoline-1,90-xanthen]-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide
  参考文献：
  名称：

  A novel ratiometric probe based on rhodamine B and coumarin for selective recognition of Fe(Ⅲ) in aqueous solution

  摘要：

  We have developed a new ratiometric fluorescence probe based on rhodamine B and coumarin to monitor the Fe3+ with high sensitivity and selectivity. Upon addition of Fe3+ to aqueous solution of the probe, two fluorescence peaks at 580 nm and 460 nm were observed, which belong to rhodamine B and coumarin, respectively. This is a novelty design of ratiometric probe of Fe3+, due to CHEF process generated along with the PET process suppressed simultaneously. The fluorescence intensity at 580 nm was significantly increased about 120-fold with 5 equiv. of Fe3+ added in aqueous solution. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.06.024