ethyl 3-methyl-3-[(diethylamino)(4-phenylthiazol-2-ylamino)phosphoryl]glycidate | 1207554-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 3-methyl-3-[(diethylamino)(4-phenylthiazol-2-ylamino)phosphoryl]glycidate
• CAS: 1207554-59-3
• 化学式: C₁₉H₂₆N₃O₄PS
• 分子量: 423.473
• InChiKey: YCMAXXUHZZWAIG-UHFFFAOYSA-N

物化性质

• 熔点：
  202-203 °C(Solvent: Ethanol)
• 沸点：
  530.8±60.0 °C(predicted)
• 密度：
  1.29±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.44
• 重原子数：
  28.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  84.06
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-methyl-3-[(diethylamino)(4-phenylthiazol-2-ylamino)phosphoryl]glycidate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以72%的产率得到
  参考文献：
  名称：

  Glycidol esters from diethylamido-(4-phenylthiazolyl-2-amido)-ketophosphonates and their chemical modification

  摘要：

  Thiazolyl-containing esters of alpha-ketophosphonic acids (KPE) unknown earlier were synthesized and investigated in Darzens-Claisen reaction. Reactions were demonstrated to proceed by a classic scheme to form the corresponding phosphorylated glycidol esters whose alkaline hydrolysis gave rise to phosphorylated aldehydes of interesting nature.

  DOI：

  10.1134/s1070363209040136
• 作为产物：
  描述：

  (diethylamino)(4-phenylthiazol-2-ylamino)(acetyl)phosphine P-oxide 、 氯乙酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以75%的产率得到ethyl 3-methyl-3-[(diethylamino)(4-phenylthiazol-2-ylamino)phosphoryl]glycidate
  参考文献：
  名称：

  Glycidol esters from diethylamido-(4-phenylthiazolyl-2-amido)-ketophosphonates and their chemical modification

  摘要：

  Thiazolyl-containing esters of alpha-ketophosphonic acids (KPE) unknown earlier were synthesized and investigated in Darzens-Claisen reaction. Reactions were demonstrated to proceed by a classic scheme to form the corresponding phosphorylated glycidol esters whose alkaline hydrolysis gave rise to phosphorylated aldehydes of interesting nature.

  DOI：

  10.1134/s1070363209040136

文献信息

• Synthesis and complex-forming properties of thiazolyl-containing organophosphorus complexone
  作者：Sh. K. Amerkhanova、L. K. Sal’keeva、R. M. Shlyapov、E. V. Minaeva、A. S. Uali

  DOI：10.1134/s1070363210060253

  日期：2010.6

  Alkaline hydrolysis of the previously prepared ethyl 2-methyl-2-[diethylamido-N-(4'-phenylthiazolyl-2-amido)phosphono]glycidate and 2-phenyl-2-[diethylamido-N-(4-phenylthiazolyl-2-amido)phosphono]glycidate accompanied by decarboxylation in situ of the obtained glycidic acids furnished 2-[diethylamido-(4'-phenylthiazolyl-2'-amido)phosphono]propionic and 2-phenyl-2-[diethylamido-(4'-phenylthiazolyl-2'-amido)phosphono]acetic aldehydes. The qualitative and quantitative evaluation of complex-forming ability of the compounds obtained with respect to transition metal ions was carried out. For identification of copper complex the evaluation of the stability constants of copper, cobalt, nickel, and zinc complexes was performed. Thermodynamic parameters of complex formation reactions were calculated. Correlation dependences between the physicochemical properties of metal ions and thermodynamic characteristics of complex formation with the organophosphorus ligands obtained were established.