2-oxo-2-hydroxy-1,2-oxaphosphetane

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 2-oxo-2-hydroxy-1,2-oxaphosphetane
• 英文别名: 2-Hydroxy-1,2lambda5-oxaphosphetane 2-oxide；2-hydroxy-1,2λ5-oxaphosphetane 2-oxide
• 化学式: C₂H₅O₃P
• 分子量: 108.034
• InChiKey: WUIFZTKFXIRQDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  乙烯利 以 aq. buffer 为溶剂， 生成 2-羟基乙基磷酸 、 2-oxo-2-hydroxy-1,2-oxaphosphetane 、 2-hydroxyethylphosphonyl phosphate
  参考文献：
  名称：

  Characterization of the Transient Oxaphosphetane BChE Inhibitor Formed from Spontaneously Activated Ethephon

  摘要：

  The major plant growth regulator ethephon degrades to ethylene and phosphate in aqueous solutions and plants and is spontaneously activated to a butyrylcholinesterase (BChE) inhibitor in alkaline solutions and animal tissues. In the present P-31 NMR kinetic study of the reactions of ethephon in pH 7.4 carbonate buffer, we observed a transient peak at 28.11 ppm. The time course for the appearance and disappearance of this peak matches the activation/degradation kinetic profile of the BChE inhibitor, and the chemical shift supports the proposed 2-oxo-2-hydroxy-1,2-oxaphosphetane structure.

  DOI：

  10.1021/tx4002429