methylphosphonic acid diethyl ester; deprotonated form | 128479-04-9

• 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: methylphosphonic acid diethyl ester; deprotonated form
• 英文别名: diethoxyphosphoryl-methanide；1-[Ethoxy(methanidyl)phosphoryl]oxyethane
• CAS: 128479-04-9
• 化学式: C₅H₁₂O₃P
• 分子量: 151.122
• InChiKey: XRNNWKLMORZQJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲基膦酸二乙酯 在 dimsyl lithium 作用下， 以 二甲基亚砜 为溶剂， 生成 methylphosphonic acid diethyl ester; deprotonated form
  参考文献：
  名称：

  Energetics of phosphorus, sulfur, and nitrogen ylide formation and reaction in solution

  摘要：

  Calorimetric heats of deprotonation for several carbon acid precursors of P, S, and N ylides are reported in DMSO at 25-degrees-C. The ylide obtained from benzyltrimethylammonium bromide undergoes the Sommelet-Hauser rearrangement immediately after its formation so that the heat and rate of rearrangement, as well as the heat of formation of the ylide, can all be derived from a single thermogram.

  DOI：

  10.1021/jo00054a005

文献信息

• Energetics of phosphorus, sulfur, and nitrogen ylide formation and reaction in solution
  作者：Edward M. Arnett、Patrick C. Wernett

  DOI：10.1021/jo00054a005

  日期：1993.1

  Calorimetric heats of deprotonation for several carbon acid precursors of P, S, and N ylides are reported in DMSO at 25-degrees-C. The ylide obtained from benzyltrimethylammonium bromide undergoes the Sommelet-Hauser rearrangement immediately after its formation so that the heat and rate of rearrangement, as well as the heat of formation of the ylide, can all be derived from a single thermogram.