methyl 3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoate | 1426399-77-0

• 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
• 英文名称: methyl 3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoate
• CAS: 1426399-77-0
• 化学式: C₃₆H₃₄N₂O₁₀
• 分子量: 654.673
• InChiKey: XFUOZJWAOCQDFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  48.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  163.38
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  methyl 3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoate 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以81%的产率得到3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoic acid
  参考文献：
  名称：

  Intimately bound coumarin and bis(alkylaminostyryl)benzene fragments: synthesis and energy transfer

  摘要：

  A novel trichromophoric assembly was synthesized, where two molecules of 7-alkoxy-4-methylcoumarin, acting as energy donors, were linked at a fixed distance and controlled geometry to an energy-acceptor bis(alkylaminostyryl) unit. Resonance energy transfer between the two different species was demonstrated by a careful spectroscopic analysis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.075
• 作为产物：
  描述：

  羟甲香豆素 在 potassium carbonate 、 1-羟基苯并三唑 、 一水合肼 、 sodium iodide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 61.0h， 生成 methyl 3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoate
  参考文献：
  名称：

  Intimately bound coumarin and bis(alkylaminostyryl)benzene fragments: synthesis and energy transfer

  摘要：

  A novel trichromophoric assembly was synthesized, where two molecules of 7-alkoxy-4-methylcoumarin, acting as energy donors, were linked at a fixed distance and controlled geometry to an energy-acceptor bis(alkylaminostyryl) unit. Resonance energy transfer between the two different species was demonstrated by a careful spectroscopic analysis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.075