13-(4-bromophenyl)-1,4,7,10-tetrathia-13-azacyclopentadecane | 871660-04-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 13-(4-bromophenyl)-1,4,7,10-tetrathia-13-azacyclopentadecane
• CAS: 871660-04-7
• 化学式: C₁₆H₂₄BrNS₄
• 分子量: 438.541
• InChiKey: VAEPSZRBQZUPGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  13-(4-bromophenyl)-1,4,7,10-tetrathia-13-azacyclopentadecane 在 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.17h， 生成 6-hydroxy-9-[4-(1,4,7,10-tetrathia-13-azacyclopentadec-13-yl)phenyl]-xanthen-3-one
  参考文献：
  名称：

  Screening Mercury Levels in Fish with a Selective Fluorescent Chemosensor

  摘要：

  Societal concerns over toxic mercury accumulation in humans from fish and other dietary and environmental sources provide motivation to develop new tools and tactics for mercury detection in a wide range of laboratory and field settings. Here we report the synthesis, properties, and application of a selective and sensitive small-molecule chemosensor for fluorescence screening of mercury levels in fish. Mercuryfluor-1 (MF1) is a water-soluble, fluorescein-based reagent that features excellent selectivity for Hg2+ over competing analytes and the largest turn-on fluorescence response to date (>170-fold increase) for reporting this heavy metal ion in aqueous solution. Combining this chemoselective Hg2+ probe with a microwave digestion protocol provides a facile method for assaying mercury levels in fish samples with mercury concentrations spanning 0.1 to 8 ppm, a range well matched with the United States Environmental Protection Agency (U.S. EPA) standard for the maximum safe level of mercury in edible fish (0.55 ppm).

  DOI：

  10.1021/ja0557987
• 作为产物：
  描述：

  4-bromo-N,N-bis[2-(p-toluenesulfonyl)ethyl]aniline 在 caesium carbonate 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 27.0h， 生成 13-(4-bromophenyl)-1,4,7,10-tetrathia-13-azacyclopentadecane
  参考文献：
  名称：

  Screening Mercury Levels in Fish with a Selective Fluorescent Chemosensor

  摘要：

  Societal concerns over toxic mercury accumulation in humans from fish and other dietary and environmental sources provide motivation to develop new tools and tactics for mercury detection in a wide range of laboratory and field settings. Here we report the synthesis, properties, and application of a selective and sensitive small-molecule chemosensor for fluorescence screening of mercury levels in fish. Mercuryfluor-1 (MF1) is a water-soluble, fluorescein-based reagent that features excellent selectivity for Hg2+ over competing analytes and the largest turn-on fluorescence response to date (>170-fold increase) for reporting this heavy metal ion in aqueous solution. Combining this chemoselective Hg2+ probe with a microwave digestion protocol provides a facile method for assaying mercury levels in fish samples with mercury concentrations spanning 0.1 to 8 ppm, a range well matched with the United States Environmental Protection Agency (U.S. EPA) standard for the maximum safe level of mercury in edible fish (0.55 ppm).

  DOI：

  10.1021/ja0557987