potassium ethyl benzylphosphonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: potassium ethyl benzylphosphonate
• 英文别名: Potassium;benzyl(ethoxy)phosphinate；potassium;benzyl(ethoxy)phosphinate
• 化学式: C₉H₁₂O₃P*K
• 分子量: 238.265
• InChiKey: WFLPPAQLWVCMQG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.22
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯基膦酸二乙酯 在 potassium trimethylsilonate 作用下， 以 乙醚 为溶剂， 反应 16.0h， 以79%的产率得到potassium ethyl benzylphosphonate
  参考文献：
  名称：

  Potassium Trimethylsilanolate-Mediated Conversion of Dialkyl Phosphonates to Their Anhydrous Potassium Monoalkyl Phosphonates Under Mild, Non-Aqueous Conditions

  摘要：

  在非水条件下，由相应的二烷基膦酸盐和三甲基硅醇钾制备出了无水单烷基膦酸盐钾，收率从良好到极佳。制备过程简单，可获得高纯度产品。

  DOI：

  10.1055/s-2005-861797

文献信息

• Thorough Examination of a Wittig−Horner Reaction Using Reaction Calorimetry (RC-1), LabMax, and ReactIR
  作者：Michael Grabarnick、Sharona Zamir

  DOI：10.1021/op020075i

  日期：2003.5.1

  The kinetics and thermodynamics of a Wittig-Horner reaction was investigated, together with side reactions such as the hydrolysis of benzyl phosphonate. It was found that the water content in the reaction mass has a crucial effect on the rates both of the unwanted hydrolysis of the phosphonate and of the main reaction. The reaction was found to be fourth-order. That means that the reaction is very fast at the start but tails off towards the end. On the basis of the kinetic and thermodynamic parameters, a simulation of the whole process was made, including the expected concentrations of the product under the required conditions (temperature, reactor characteristics, etc.). The experimental values of the concentrations were obtained from spectra collected via a rapid reaction mode in the ReactIR (a spectrum was collected every similar to3 s). Exact agreement between experimental and theoretical values confirms the correctness of the mathematical model and enables right planning of the industrial process.