diethyl 2,2'-((3-(4-(2-ethoxy-2-oxoethoxy)phenyl)-4-oxo-4H-chromene-5,7-diyl)bis(oxy))diacetate | 882971-00-8

• 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: diethyl 2,2'-((3-(4-(2-ethoxy-2-oxoethoxy)phenyl)-4-oxo-4H-chromene-5,7-diyl)bis(oxy))diacetate
• CAS: 882971-00-8
• 化学式: C₂₇H₂₈O₁₁
• 分子量: 528.513
• InChiKey: QAPDHKSQENNZNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  38.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  136.8
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  diethyl 2,2'-((3-(4-(2-ethoxy-2-oxoethoxy)phenyl)-4-oxo-4H-chromene-5,7-diyl)bis(oxy))diacetate 在 sodium hydroxide 作用下， 生成 2-[4-[2-[2,4-Bis(carboxymethoxy)-6-hydroxyphenyl]-2-oxoethyl]phenoxy]acetic acid
  参考文献：
  名称：

  Synthesis, crystal structure and antimicrobial activity of deoxybenzoin derivatives from genistein

  摘要：

  A series of deoxybenzoin derivatives from genistein were synthesized and their structures were elucidated by H-1 NMR, mass spectral data and micro analyses. The structures of 2, 7 and 10 were determined by single-crystal X-ray analysis. These obtained compounds were evaluated for their assayed antibacterial (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescence and Staphylococcus aureus) and antifungal (Aspergillus niger, Candida albicans and Trichophyton rubrum) activities by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium. bromide) method. Most compounds have displayed comparable antibacterial activity against bacterial. On the basis of the biological results, structure-activity relationships are discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.05.013
• 作为产物：
  描述：

  染料木素 、 溴乙酸乙酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.75h， 生成 diethyl 2,2'-((3-(4-(2-ethoxy-2-oxoethoxy)phenyl)-4-oxo-4H-chromene-5,7-diyl)bis(oxy))diacetate
  参考文献：
  名称：

  Synthesis, crystal structure and antimicrobial activity of deoxybenzoin derivatives from genistein

  摘要：

  A series of deoxybenzoin derivatives from genistein were synthesized and their structures were elucidated by H-1 NMR, mass spectral data and micro analyses. The structures of 2, 7 and 10 were determined by single-crystal X-ray analysis. These obtained compounds were evaluated for their assayed antibacterial (Bacillus subtilis, Escherichia coli, Pseudomonas fluorescence and Staphylococcus aureus) and antifungal (Aspergillus niger, Candida albicans and Trichophyton rubrum) activities by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium. bromide) method. Most compounds have displayed comparable antibacterial activity against bacterial. On the basis of the biological results, structure-activity relationships are discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.05.013