Phosphorsaeure-dibutylester-(2-diethylamino-ethylamid) | 101098-31-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Phosphorsaeure-dibutylester-(2-diethylamino-ethylamid)
• 英文别名: dibutyl N-(2-(N,N-diethylamino)ethy)lamidophosphate；dibutylphosphoric 2-(N,N-diethylamino)ethylamide；(BuO)2P(O)NHCH2CH2NEt2；dibutylphosphoric 2-(N,N-diethylamino)ethyl-amide；N-dibutoxyphosphoryl-N',N'-diethylethane-1,2-diamine
• CAS: 101098-31-1
• 化学式: C₁₄H₃₃N₂O₃P
• 分子量: 308.401
• InChiKey: MHAQZSWPGIKGAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  亚磷酸二丁酯 、 N,N-二乙基乙二胺 在 四氯化碳 、 三乙胺 作用下， 以 苯 为溶剂， 反应 3.5h， 以85%的产率得到Phosphorsaeure-dibutylester-(2-diethylamino-ethylamid)
  参考文献：
  名称：

  Synthesis, acid-base properties, and interphase distribution of new aminoalkylphosphates and -phosphonates

  摘要：

  Using the Todd-Atherton reaction, we synthesized new omega-aminoalkylphosphates differing by location of phosphate amino group in the molecule. For these compounds and for alpha-, beta-, and gamma-amino-phosphonates of similar structure ionization constants of phosphate and phosphonate groups were determined which turned out to be similar. In all the cases the increase in basicity of amine centers was shown with the growing distance between them and the phosphorus-containing substituent. By the method of two-phase potentiometric titration the constants of partition between water and a series of organic solvents were measured. The data obtained are interpreted in the framework of additive Leo-Hansch model that allows estimation of the increments of phosphate and amidophosphate groups. These data can be applied to the study of biological activity and extraction properties of the compound of such class.

  DOI：

  10.1134/s1070363208110078