3',6'-bis(ethylamino)-2-(2-(((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)amino)ethyl)-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one | 1596358-40-5

• 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: 3',6'-bis(ethylamino)-2-(2-(((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)amino)ethyl)-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one
• CAS: 1596358-40-5
• 化学式: C₃₉H₃₈N₄O₅
• 分子量: 642.755
• InChiKey: UGMICOUOHDDVBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.26
• 重原子数：
  48.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  116.4
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  7-羟基-4-甲基-2-氧代-2H-色烯-8-甲醛 、 N-(rhodamine-6G)lactam-ethylenediamine 以 乙醇 为溶剂， 反应 13.0h， 以58.3%的产率得到3',6'-bis(ethylamino)-2-(2-(((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)amino)ethyl)-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one
  参考文献：
  名称：

  An off-on fluorescent sensor with high selectivity and sensitivity for Fe(III)

  摘要：

  A new fluorescent derivative (1) containing coumarin exhibits Fe(III)-selective strong yellow-green fluorescence in ethanol. This compound could be used as an "off-on" chemosensor and allow the detection of Fe3+ by monitoring changes in absorption and fluorescence spectra. Upon addition of Fe3+, an overall emission change of 125-fold was observed. High selectivity and sensitivity were observed over other metal ions, mainly due to the spirolactam ring-opening power of Fe3+. The detection limit was as low as 5.6 ppb. Photo-induced electron transfer, coupled with intramolecular charge transfer are proposed to account for the observed spectral response.

  DOI：

  10.1080/00958972.2014.903474