(2-(2-(2-hydroxyethoxy)ethoxy)ethyl 8-propoxyquinoline-2-carboxylate) | 1446747-08-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2-(2-(2-hydroxyethoxy)ethoxy)ethyl 8-propoxyquinoline-2-carboxylate)
• 英文别名: PQTEG；2-[2-(2-Hydroxyethoxy)ethoxy]ethyl 8-propoxyquinoline-2-carboxylate
• CAS: 1446747-08-5
• 化学式: C₁₉H₂₅NO₆
• 分子量: 363.411
• InChiKey: OFCQUGSDDPWTNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  87.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2-(2-(2-hydroxyethoxy)ethoxy)ethyl 8-propoxyquinoline-2-carboxylate) 以 水 、 乙腈 为溶剂， 生成 C₁₉H₂₇AlNO₆⁽¹⁺⁾*ClO₄^(1-)
  参考文献：
  名称：

  Colorimetric detection of Al(III) ions based on triethylene glycol appended 8-propyloxy quinoline ester

  摘要：

  A triethylene glycol modified quinoline ester (PQTEG) is synthesised, which acts as a colorimetric sensor for Al3+ ions with a detection limit of 8 x 10(-7) M in acetonitrile/water (95:5, v/v) solvent system. A visible, colour change from colourless to deep yellow was observed on binding of PQTEG with the metal ion. The unshared electron pairs of oxygen and nitrogen in triethylene glycol ester of quinoline provide a high binding affinity towards Al3+ and serves as the binding site. The metal binding was further confirmed from H-1 NMR studies and IR spectroscopic studies. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.134
• 作为产物：
  描述：

  8-propoxyquinoline-2-carbaldehyde 在 Oxone 、 硫酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (2-(2-(2-hydroxyethoxy)ethoxy)ethyl 8-propoxyquinoline-2-carboxylate)
  参考文献：
  名称：

  Colorimetric detection of Al(III) ions based on triethylene glycol appended 8-propyloxy quinoline ester

  摘要：

  A triethylene glycol modified quinoline ester (PQTEG) is synthesised, which acts as a colorimetric sensor for Al3+ ions with a detection limit of 8 x 10(-7) M in acetonitrile/water (95:5, v/v) solvent system. A visible, colour change from colourless to deep yellow was observed on binding of PQTEG with the metal ion. The unshared electron pairs of oxygen and nitrogen in triethylene glycol ester of quinoline provide a high binding affinity towards Al3+ and serves as the binding site. The metal binding was further confirmed from H-1 NMR studies and IR spectroscopic studies. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.134