1-[4-(3-chloro-2-hydroxypropoxy)-2-hydroxy-3-propylphenyl]propan-1-one | 69076-30-8

• 英文名称: 1-[4-(3-chloro-2-hydroxypropoxy)-2-hydroxy-3-propylphenyl]propan-1-one
• CAS: 69076-30-8
• 化学式: C₁₅H₂₁ClO₄
• 分子量: 300.782
• InChiKey: BPCREGNREFBJRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  20.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  2,4-二羟基-3-丙基苯基乙基酮 、 环氧氯丙烷 生成 1-[4-(3-chloro-2-hydroxypropoxy)-2-hydroxy-3-propylphenyl]propan-1-one
  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