2-formyl ethyl phosphonic acid | 60158-23-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-formyl ethyl phosphonic acid
• 英文别名: 3-Oxopropylphosphonic acid
• CAS: 60158-23-8
• 化学式: C₃H₇O₄P
• 分子量: 138.06
• InChiKey: LJZKXODNQJJBLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (3,3-Diethoxy-propyl)-phosphonic acid 在 甲酸 作用下， 生成 2-formyl ethyl phosphonic acid
  参考文献：
  名称：

  Pyridoxal phosphate. 5. 2-Formylethynylphosphonic acid and 2-formylethylphosphonic acid, potent inhibitors of pyridoxal phosphate binding and probes of enzyme topography

  摘要：

  The title compounds (17 and 21) were prepared in good yield by synthesis of the phosphonate diester acetals (14 and 19), deesterification with chloro- or bromotrimethylsilane, hydrolysis of the acetal group, and formation of the characterized barium salts. The 3-carbon aldehydrophosphonic acids (17 and 21) were potent inhibitors (Ki = 2 X 10(-6)) of pyridoxal phosphate (PPal) binding to apoaspartate aminotransferase (AAT) and are believed to span between and bind to the enzymic functional groups which bind the aldehyde and phosphate groups of PPal.

  DOI：

  10.1021/jm00234a003