7,8-di-(ethyl 4-oxybutyrate)-3-[p-(3,4-dicyanophenoxy)phenyl]coumarin | 1384186-61-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 7,8-di-(ethyl 4-oxybutyrate)-3-[p-(3,4-dicyanophenoxy)phenyl]coumarin
• CAS: 1384186-61-1
• 化学式: C₃₅H₃₂N₂O₉
• 分子量: 624.647
• InChiKey: LIZLPHRAKNRIFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.44
• 重原子数：
  46.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  158.08
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  4-溴丁酸乙酯 、 4-[4-(7,8-dihydroxy-2-oxo-2H-chromen-3-yl)phenoxy]phthalonitrile 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以38%的产率得到7,8-di-(ethyl 4-oxybutyrate)-3-[p-(3,4-dicyanophenoxy)phenyl]coumarin
  参考文献：
  名称：

  Highly singlet oxygen generative water-soluble coumarin substituted zinc(II) phthalocyanine photosensitizers for photodynamic therapy

  摘要：

  New tetra-non-peripherally and peripherally ethyl butyrate or butanoic acid and their sodium salts bearing coumarin substituted zinc(II) phthalocyanine complexes have been synthesized and characterized for the first time. Butanoic acid bearing coumarin substituted zinc(II) phthalocyanine complexes and their sodium salts show excellent solubility in aqueous solution. Photophysical and photochemical properties of these phthalocyanines were investigated. General trends are described for photodegradation, fluorescence and singlet oxygen quantum yields as well as fluorescence lifetimes of these compounds. The value of singlet oxygen quantum yields ranged from 0.65 to 0.93 in phosphate-buffered saline + Triton X-100 solution indicating that they can produce singlet oxygen in high efficiency. This study also presented the synthesized water soluble zinc(II) phthalocyanines strongly bind to bovine serum albumin. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.04.034