1-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)acetyl-3-phenyl-2-diethylamino-1,3,2-diazaphospholidin-4-one 2-sulfide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)acetyl-3-phenyl-2-diethylamino-1,3,2-diazaphospholidin-4-one 2-sulfide
• 英文别名: 2-[2-[2-(diethylamino)-4-oxo-3-phenyl-2-sulfanylidene-1,3,2λ5-diazaphospholidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
• 化学式: C₂₂H₂₃N₄O₄PS
• 分子量: 470.489
• InChiKey: DFJPGOMQNVQXGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  81.24
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N-(N,N-phthaloyl-glycyl)-glycine anilide 、 六乙基亚磷酸胺 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 苯 为溶剂， 反应 2.53h， 以43.7%的产率得到1-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)acetyl-3-phenyl-2-diethylamino-1,3,2-diazaphospholidin-4-one 2-sulfide
  参考文献：
  名称：

  A Convenient Synthesis of Phosphorines and Phospholidins by Lawesson?s Reagent and Microwave Irradiation

  摘要：

  A new and simple method for the synthesis of 1,3,2-diazaphosphoiines and 1,3,2-oxazaphosphorine was developed based on the reactions of Lawesson's reagent with beta-aminopropionitriles and beta-hydroxypropionitrile. In addition, a rapid and facile synthesis of 1,3,2-diazaphospholidin-4-ones by the reaction of P(NEt2)(3) with hindered diamino substrates under microwave irradiation was also achieved. The prepared phosphorines show herbicidal activity to some extent in the preliminary bioassays.

  DOI：

  10.1007/s00706-003-0169-z

文献信息

• A Convenient Synthesis of Phosphorines and Phospholidins by Lawesson?s Reagent and Microwave Irradiation
  作者：Sheng-Lou Deng、Ru-Yu Chen

  DOI：10.1007/s00706-003-0169-z

  日期：2004.9

  A new and simple method for the synthesis of 1,3,2-diazaphosphoiines and 1,3,2-oxazaphosphorine was developed based on the reactions of Lawesson's reagent with beta-aminopropionitriles and beta-hydroxypropionitrile. In addition, a rapid and facile synthesis of 1,3,2-diazaphospholidin-4-ones by the reaction of P(NEt2)(3) with hindered diamino substrates under microwave irradiation was also achieved. The prepared phosphorines show herbicidal activity to some extent in the preliminary bioassays.