1-[4-(3-Chloro-2-hydroxy-propoxy)-5-ethyl-2-hydroxy-phenyl]-ethanone | 63360-16-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(3-Chloro-2-hydroxy-propoxy)-5-ethyl-2-hydroxy-phenyl]-ethanone
• 英文别名: 1-[4-(3-chloro-2-hydroxypropoxy)-5-ethyl-2-hydroxyphenyl]ethanone
• CAS: 63360-16-7
• 化学式: C₁₃H₁₇ClO₄
• 分子量: 272.729
• InChiKey: LHQAORCGNXPMFV-UHFFFAOYSA-N

物化性质

• 沸点：
  469.5±45.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  66.76
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-(5-乙基-2,4-二羟基苯基)乙酮 、 环氧氯丙烷 生成 1-[4-(3-Chloro-2-hydroxy-propoxy)-5-ethyl-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