4,4'-((((2',7'-dichloro-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(piperazine-4,1-diyl))bis(methylene))bis(6,7-dimethoxy-2H-chromen-2-one) | 1240500-60-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4,4'-((((2',7'-dichloro-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(piperazine-4,1-diyl))bis(methylene))bis(6,7-dimethoxy-2H-chromen-2-one)
• CAS: 1240500-60-0
• 化学式: C₅₄H₅₀Cl₂N₄O₁₃
• 分子量: 1033.92
• InChiKey: RFIHUISTYFGSLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.86
• 重原子数：
  73.0
• 可旋转键数：
  12.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  186.29
• 氢给体数：
  2.0
• 氢受体数：
  17.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 6,7-dimethoxy-4-(piperazin-1-ylmethyl)-2H-chromen-2-one 、 二氯荧光黄 以 乙腈 、 水 为溶剂， 反应 24.5h， 以54%的产率得到4,4'-((((2',7'-dichloro-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(piperazine-4,1-diyl))bis(methylene))bis(6,7-dimethoxy-2H-chromen-2-one)
  参考文献：
  名称：

  Selective chromogenic and fluorogenic signalling of Hg2+ ions using a fluorescein-coumarin conjugate

  摘要：

  A novel, Hg2+-selective chemosensor was prepared via Mannich reaction of dichlorofluorescein with piperazinyl-coumarin moiety. The dichlorofluorescein-coumarin derivative exhibited well-defined Hg(2+)selective chromogenic behavior, indicated by a green to pink colour change in solution, as well as fluorogenic signalling. Significant changes in fluorescence of the dichlorofluorescein subunit were analyzed in reference to the rather constant coumarin emission as an internal standard yielding Hg2+ selectivity. The Hg2+ selectivity of the chemosensor was not appreciably affected by the presence of common coexisting alkali, alkaline earth, and transition metal ions. The detection limit of the dichlorofluorescein-coumarin conjugate for the determination of Hg2+ ions was 4.3 x 10(-6) mol L-1 and the conjugate dye could be used as a chemosensor for the analysis of Hg2+ ions in aqueous environments. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.06.009