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potassium ethyl benzylphosphonate

中文名称
——
中文别名
——
英文名称
potassium ethyl benzylphosphonate
英文别名
Potassium;benzyl(ethoxy)phosphinate;potassium;benzyl(ethoxy)phosphinate
potassium ethyl benzylphosphonate化学式
CAS
——
化学式
C9H12O3P*K
mdl
——
分子量
238.265
InChiKey
WFLPPAQLWVCMQG-UHFFFAOYSA-M
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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
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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.
  • Potassium Trimethylsilanolate-Mediated Conversion of Dialkyl Phosphonates to Their Anhydrous Potassium Monoalkyl Phosphonates Under Mild, Non-Aqueous Conditions
    作者:Janusz Rachon、Joanna Dziemidowicz、Dariusz Witt、Magdalena Sliwka-Kaszynska
    DOI:10.1055/s-2005-861797
    日期:——
    Anhydrous potassium monoalkyl phosphonates have been prepared from the corresponding dialkyl phosphonates and potassium trimethylsilanolate under non-aqueous conditions in good to excellent yields. Simple workup procedure has been developed to afford high purity products.
    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。
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