1-{4-[4-(4-Chloro-phenyl)-butoxy]-2-hydroxy-phenyl}-ethanone | 63359-89-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-{4-[4-(4-Chloro-phenyl)-butoxy]-2-hydroxy-phenyl}-ethanone
• 英文别名: 1-[4-[4-(4-Chlorophenyl)butoxy]-2-hydroxyphenyl]ethanone
• CAS: 63359-89-7
• 化学式: C₁₈H₁₉ClO₃
• 分子量: 318.8
• InChiKey: JERCWONOTBVXFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 4-(4-chlorophenyl)-butyl bromide 在 potassium carbonate 作用下， 生成 1-{4-[4-(4-Chloro-phenyl)-butoxy]-2-hydroxy-phenyl}-ethanone
  参考文献：
  名称：

  Aryloxyalkyloxy- and aralkyloxy-4-hydroxy-3-nitrocoumarins which inhibit histamine release in the rat and also antagonize the effects of a slow reacting substance of anaphylaxis

  摘要：

  The syntheses and structure--activity relationships of a number of 4-hydroxy-3-nitrocoumarins, which are both antagonists of a slow reacting substance of anaphylaxis and potent inhibitors of antigen-induced histamine release in the rat, are described. Most active among these are 7-[3-(4-acetyl-3-hydroxy-2-n-propylphenoxy(-2-hydroxypropoxy] derivatives having hydrogen or lower alkyl substituents at the C-8 position of the coumarin ring, 168, 171, 173, and 174.

  DOI：

  10.1021/jm00188a007