{[5-Benzyloxy-2-(bis-ethoxycarbonylmethyl-amino)-4-formyl-phenyl]-ethoxycarbonylmethyl-amino}-acetic acid ethyl ester | 894763-35-0

• 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: {[5-Benzyloxy-2-(bis-ethoxycarbonylmethyl-amino)-4-formyl-phenyl]-ethoxycarbonylmethyl-amino}-acetic acid ethyl ester
• 英文别名: ethyl 2-[2-[bis(2-ethoxy-2-oxoethyl)amino]-N-(2-ethoxy-2-oxoethyl)-5-formyl-4-phenylmethoxyanilino]acetate
• CAS: 894763-35-0
• 化学式: C₃₀H₃₈N₂O₁₀
• 分子量: 586.639
• InChiKey: BMISQSADUUXURS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  42
• 可旋转键数：
  22
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  {[5-Benzyloxy-2-(bis-ethoxycarbonylmethyl-amino)-4-formyl-phenyl]-ethoxycarbonylmethyl-amino}-acetic acid ethyl ester 在 palladium on activated charcoal 环己烯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 5.67h， 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
• 作为产物：
  描述：

  4-苯基甲氧基苯-1,2-二胺 在 吡啶 、 N,N-二异丙基乙胺 、 sodium iodide 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 16.5h， 生成 {[5-Benzyloxy-2-(bis-ethoxycarbonylmethyl-amino)-4-formyl-phenyl]-ethoxycarbonylmethyl-amino}-acetic acid ethyl ester
  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.