2-(2-(bis((1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)ethyl)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one | 1421839-94-2

• 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: 2-(2-(bis((1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)ethyl)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one
• CAS: 1421839-94-2
• 化学式: C₄₀H₅₀N₁₀O₄
• 分子量: 734.902
• InChiKey: HSZRMHPHOLVMMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  54.0
• 可旋转键数：
  17.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  141.14
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  罗丹明B乙二胺 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 3.0h， 生成 2-(2-(bis((1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)ethyl)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one
  参考文献：
  名称：

  Fluorogenic and chromogenic detection of Cu2+ and Fe3+ species in aqueous media by rhodamine–triazole conjugate

  摘要：

  The simple yet efficient method for the detection of Cu2+ and Fe3+ by respective coordination of triazole triazole and triazole carbonate in aqueous media was achieved using the BisTriazole-Rhodamine B (BTRB) chemosensor. The addition of Cu2+ enhances the fluorescence intensity to 20 fold (Phi(f)=0.31) while Fe3+ enhances 14 fold (Phi(f)=0.12) in comparison with BTRB. Competitive experiments with BTRB-Cu2+ revealed that addition of Fe3+ displaces Cu2+ causes obvious fluorescence enhancement (2.8 fold). Application of BTRB probe was exploited by conducting a copper catalyzed model reaction from which total copper content in the catalytic product as an impurity was determined as 356 ppm. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.040