| 130285-65-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 130285-65-3
• 化学式: C₆H₁₃O₄P
• 分子量: 180.141
• InChiKey: CZMYAJUYFMMDDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N,N'-bis(benzyloxycarbonyl)ethane-1,1-diamine 、 在 三氟乙酸酐 作用下， 以23%的产率得到1-(benzyloxycarbonylamino)ethyl-2-(ethyloxycarbonyl)propylphosphinic acid
  参考文献：
  名称：

  Acyloxy derivatives of trivalent phosphorus in amidoalkylation of hydrophosphoryl compounds

  摘要：

  In order to model the previously suggested mechanism of the P-C bond formation via the Arbuzov reaction, we have studied the interaction of diethylacylphosphite (prepared beforehand as well as generated in situ from tetraethylpyrophosphite) with the in situ generated acyliminium cation. Various conditions of in situ generation of acylphosphite derivatives of P(III) from hydrophosphoryl compounds and acyliminium ions from N,N'-alkylidenebiscarbamates have been investigated: solvent nature, acid catalyst, and the reagents mixing order). The results obtained have confirmed the suggested mechanism of three-component reaction of amidoalkylation of hydrophosphoryl compounds with the formation of P-C bond via the Arbuzov reaction of in situ formed intermediates.

  DOI：

  10.1134/s1070363213100150
• 作为产物：
  描述：

  二(三甲基硅烷基)亚膦酸酯 、 反式-2-丁烯酸乙酯 、 水 生成
  参考文献：
  名称：

  BOYD, E. ANDREW;CORLESS, MARTIN;JAMES, KEITH;REGAN, ANDREW C., TETRAHEDRON LETT., 31,(1990) N0, C. 2933-2936

  摘要：

  DOI：