6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carbonyl chloride | 1258977-53-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carbonyl chloride
• CAS: 1258977-53-5
• 化学式: C₁₅H₁₁ClN₂O₄
• 分子量: 318.716
• InChiKey: MHZNCFVNGLKGCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  92.42
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carbonyl chloride 、 4-氨基-N-(3-氯苯基)-苯磺酰胺 在 吡啶 作用下， 反应 9.5h， 以65%的产率得到6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carboxylic acid [4-(3-chlorophenylsulfamoyl)phenyl]amide
  参考文献：
  名称：

  Synthesis and in vitro microbial activities of amides of pyridoquinolone

  摘要：

  In this study, we report the antimicrobial evaluation of newly synthesized amides of pyridoquinolones from substituted aniline, substituted phenyl thioureas and 4-amino-N-(substitutedphenyl)benzenesulfonamide. Structures of selected compounds have been established by IR and H-1 NMR spectra and elemental analysis. The structure-activity releationships have been studied by screening of antimicrobial activity over S. aureus, B. subtilis, E. coli, P. aeruginosa, and C. albicans using cup-plate method.

  DOI：

  10.1007/s00044-010-9443-x
• 作为产物：
  描述：

  6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carboxylic acid 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carbonyl chloride
  参考文献：
  名称：

  Synthesis and in vitro microbial activities of amides of pyridoquinolone

  摘要：

  In this study, we report the antimicrobial evaluation of newly synthesized amides of pyridoquinolones from substituted aniline, substituted phenyl thioureas and 4-amino-N-(substitutedphenyl)benzenesulfonamide. Structures of selected compounds have been established by IR and H-1 NMR spectra and elemental analysis. The structure-activity releationships have been studied by screening of antimicrobial activity over S. aureus, B. subtilis, E. coli, P. aeruginosa, and C. albicans using cup-plate method.

  DOI：

  10.1007/s00044-010-9443-x