diethyl 2,2'-(3-nitro-2-oxo-2H-chromen-4-ylazanediyl)diacetate | 1192022-07-3

• 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: diethyl 2,2'-(3-nitro-2-oxo-2H-chromen-4-ylazanediyl)diacetate
• CAS: 1192022-07-3
• 化学式: C₁₇H₁₈N₂O₈
• 分子量: 378.339
• InChiKey: WEMFOUZWSVZRDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  129.19
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  亚氨基二乙酸二乙酯 、 4-氯-3-硝基香豆素 以 乙酸乙酯 为溶剂， 以80%的产率得到diethyl 2,2'-(3-nitro-2-oxo-2H-chromen-4-ylazanediyl)diacetate
  参考文献：
  名称：

  New coumarin-based sensor molecule for magnesium and calcium ions

  摘要：

  A new coumarin-based sensor molecule (L-1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.141