3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoic acid | 1426399-78-1

• 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: 3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoic acid
• CAS: 1426399-78-1
• 化学式: C₃₅H₃₂N₂O₁₀
• 分子量: 640.646
• InChiKey: UMPOMNUNFRCODU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  47.0
• 可旋转键数：
  13.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  174.38
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N¹-(4-(4-(4-(dibutylamino)styryl)-2,3,5,6-tetrafluorostyryl)phenyl)-N¹-methylpropane-1,3-diamine 、 3,5-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propylcarbamoyl)benzoic acid 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 121.0h， 以89%的产率得到N¹-(3-((4-(4-(4-(dibutylamino)styryl)-2,3,5,6-tetrafluorostyryl)phenyl)(methyl)amino)propyl)-N³,N⁵-bis(3-(4-methyl-2-oxo-2H-chromen-7-yloxy)propyl)benzene-1,3,5-tricarboxamide
  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：

  7-(3-aminopropoxy)-4-methyl-2H-chromen-2-one 在 水 、 1-羟基苯并三唑 、 sodium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 生成 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