1-[(7-甲氧基)香豆素-4-基甲基]-1,10-二氮杂-18-冠-6 | 1042067-66-2

• 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
• 中文名称: 1-[(7-甲氧基)香豆素-4-基甲基]-1,10-二氮杂-18-冠-6
• 英文名称: 1-[(7-methoxy)coumarin-4-ylmethyl]-1,10-diaza-18-crown-6
• CAS: 1042067-66-2
• 化学式: C₂₃H₃₄N₂O₇
• 分子量: 450.532
• InChiKey: MKWXXASDEGQPRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  32.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  91.63
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1-[(7-甲氧基)香豆素-4-基甲基]-1,10-二氮杂-18-冠-6 、 氯乙酸叔丁酯 在 三乙胺 、 potassium iodide 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以58%的产率得到
  参考文献：
  名称：

  Substituent dependent fluorescence response of diazacrown-based PET sensors

  摘要：

  The sensing ability of three 1,10-diaza-18-crown-6 based sensors bearing a coumarin fluorophore was studied and compared with the analogous monoaza-18-crown-6 sensor. Coordination experiments between hosts and organic ammonium salts with varying steric demand were studied using fluorescence and H-1 NMR spectroscopy. We have found that the fluorescent signal generated on complexation was greatly influenced by the structure of the sensor. Surprisingly, in two cases, we observed the decrease of fluorescence on complexation, which was attributed to changes in the conformational dynamics of the sensors on complexation. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.006
• 作为产物：
  描述：

  4-氯甲基-7-甲氧基色烯-2-酮 、 二氮杂18-冠醚-6 在 caesium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以25%的产率得到1-[(7-甲氧基)香豆素-4-基甲基]-1,10-二氮杂-18-冠-6
  参考文献：
  名称：

  Substituent dependent fluorescence response of diazacrown-based PET sensors

  摘要：

  The sensing ability of three 1,10-diaza-18-crown-6 based sensors bearing a coumarin fluorophore was studied and compared with the analogous monoaza-18-crown-6 sensor. Coordination experiments between hosts and organic ammonium salts with varying steric demand were studied using fluorescence and H-1 NMR spectroscopy. We have found that the fluorescent signal generated on complexation was greatly influenced by the structure of the sensor. Surprisingly, in two cases, we observed the decrease of fluorescence on complexation, which was attributed to changes in the conformational dynamics of the sensors on complexation. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.006