bis(2-ethylhexyl) butylphosphoramidate | 53796-11-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: bis(2-ethylhexyl) butylphosphoramidate
• 英文别名: N-[bis(2-ethylhexoxy)phosphoryl]butan-1-amine
• CAS: 53796-11-5
• 化学式: C₂₀H₄₄NO₃P
• 分子量: 377.548
• InChiKey: HMLQRAIGAUQRDN-UHFFFAOYSA-N

物化性质

• 沸点：
  157 °C(Press: 0.2 Torr)
• 密度：
  0.931±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  25
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  双(2-乙基己基)磷酸 、 正丁胺 在 四氯化碳 作用下， 以 正己烷 为溶剂， 以86%的产率得到bis(2-ethylhexyl) butylphosphoramidate
  参考文献：
  名称：

  Effect of the structure of functionalized phosphoryl carriers on the membrane transport of proton-donor substrates

  摘要：

  A series of phosphoryl compounds functionalized in the side chain were synthesized, and their membrane-tran sport properties with respect to proton-donor substrates of various acidity were studied. It was found that the efficiency of phase transport of the strong monobasic perchloric acid correlates with the basicity of the phosphoryl carriers in a series of carriers containing oxygen-containing functional groups. The transport flow sharply increases in going to phosphorylated amines, whereas phosphoram i dates in their efficiency are closer to phosphonates than to amines. The efficiency of transport of dibasic acids (oxalic and tartaric) is low, since the hydroxy and carboxy groups not bound to the carrier make ionic associates highly hydrophilic. Fine details of the structure-tran sport acitivity relationship in the series of phosphorus compounds were discussed. Three-dimensional correlation analysis was used to compare the structure of the carriers with their characteristics: basicity of amine centers, atomic charges of oxygen and nitrogen, and hardness and hydrophobicity parameters.

  DOI：

  10.1134/s1070363206100057