2-{(2-{Bis-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-4-formyl-5-hydroxy-phenyl)-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-N-(2-hydroxy-ethyl)-acetamide | 894763-37-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-{(2-{Bis-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-4-formyl-5-hydroxy-phenyl)-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-N-(2-hydroxy-ethyl)-acetamide
• 英文别名: 2-[2-[bis[2-(2-hydroxyethylamino)-2-oxoethyl]amino]-5-formyl-4-hydroxy-N-[2-(2-hydroxyethylamino)-2-oxoethyl]anilino]-N-(2-hydroxyethyl)acetamide
• CAS: 894763-37-2
• 化学式: C₂₃H₃₆N₆O₁₀
• 分子量: 556.573
• InChiKey: FRZCDQGMWHLFNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  39
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  241
• 氢给体数：
  9
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2-{(2-{Bis-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-4-formyl-5-hydroxy-phenyl)-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-N-(2-hydroxy-ethyl)-acetamide 、 2-(2-苯并噻唑)乙酸乙酯 在 哌啶 作用下， 以 甲醇 为溶剂， 反应 2.5h， 以17%的产率得到2-{(3-Benzothiazol-2-yl-7-{bis-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-2-oxo-2H-chromen-6-yl)-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-N-(2-hydroxy-ethyl)-acetamide
  参考文献：
  名称：

  Detecting Hg²⁺ Ions with an ICT Fluorescent Sensor Molecule:  Remarkable Emission Spectra Shift and Unique Selectivity

  摘要：

  A fluorescent ratiometric Hg2+ ion sensor RMS, based on a coumarin platform coupled with a tetraamide receptor, is presented. This sensor, employing the ICT mechanism, could be used to specifically detect Hg2+ ions in a neutral buffered water solution with an similar to 100-nm blue shift in emission spectra.

  DOI：

  10.1021/jo052642g
• 作为产物：
  描述：

  4-苄氧基-2-硝基苯胺 在 palladium on activated charcoal 吡啶 、 N,N-二异丙基乙胺 、 sodium iodide 、 tin(ll) chloride 、 环己烯 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 水 、 乙腈 为溶剂， 反应 27.17h， 生成 2-{(2-{Bis-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-4-formyl-5-hydroxy-phenyl)-[(2-hydroxy-ethylcarbamoyl)-methyl]-amino}-N-(2-hydroxy-ethyl)-acetamide
  参考文献：
  名称：

  Detecting Hg²⁺ Ions with an ICT Fluorescent Sensor Molecule:  Remarkable Emission Spectra Shift and Unique Selectivity

  摘要：

  A fluorescent ratiometric Hg2+ ion sensor RMS, based on a coumarin platform coupled with a tetraamide receptor, is presented. This sensor, employing the ICT mechanism, could be used to specifically detect Hg2+ ions in a neutral buffered water solution with an similar to 100-nm blue shift in emission spectra.

  DOI：

  10.1021/jo052642g

文献信息

• Detecting Hg²⁺ Ions with an ICT Fluorescent Sensor Molecule:  Remarkable Emission Spectra Shift and Unique Selectivity
  作者：Jiaobing Wang、Xuhong Qian、Jingnan Cui

  DOI：10.1021/jo052642g

  日期：2006.5.1

  A fluorescent ratiometric Hg2+ ion sensor RMS, based on a coumarin platform coupled with a tetraamide receptor, is presented. This sensor, employing the ICT mechanism, could be used to specifically detect Hg2+ ions in a neutral buffered water solution with an similar to 100-nm blue shift in emission spectra.