2-[4-(3-Amino-2-carbamoyl-3-oxoprop-1-enyl)-2,3-dichlorophenoxy]acetic acid | 29360-67-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-[4-(3-Amino-2-carbamoyl-3-oxoprop-1-enyl)-2,3-dichlorophenoxy]acetic acid
• CAS: 29360-67-6
• 化学式: C₁₂H₁₀Cl₂N₂O₅
• 分子量: 333.128
• InChiKey: OKOOIJRCMHRVMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙二酰胺 、 (2,3-Dichlor-4-formylphenoxy)essigsaeure 在 ammonium acetate 作用下， 以 苯 为溶剂， 生成 2-[4-(3-Amino-2-carbamoyl-3-oxoprop-1-enyl)-2,3-dichlorophenoxy]acetic acid
  参考文献：
  名称：

  (Vinylaryloxy)acetic acids. A new class of diuretic agents. 4. Various [(2-substituted and 2,2-disubstituted vinyl)aryloxy]acetic acids

  摘要：

  A variety of [(2-substituted and 2,2-disubstituted vinyl)aryloxy]acetic acids was synthesized in which the substituents were primarily electron-withdrawing groups. These compounds were tested in dogs for their saluretic and diuretic properties. Many of the compounds exhibited significant activity; however, they were generally less potent than those reported in the three earlier papers in this series.

  DOI：

  10.1021/jm00229a024