5,5-dimethyl-2-methylthio-4-oxo-3-(4'-oxo-2',5',5'-trimethyl-1-'-pyrroline 1'-oxide-3'-ylidene)-1-pyrroline-1-oxide | 134252-85-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 5,5-dimethyl-2-methylthio-4-oxo-3-(4'-oxo-2',5',5'-trimethyl-1-'-pyrroline 1'-oxide-3'-ylidene)-1-pyrroline-1-oxide
• CAS: 134252-85-0
• 化学式: C₁₄H₁₈N₂O₄S
• 分子量: 310.374
• InChiKey: GOLJYZRYLWRHHL-HJWRWDBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  86.28
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  甲基碘化镁 、 5,5-dimethyl-2-methylthio-4-oxo-1-pyrrolidine-1-oxide 在 manganese(IV) oxide 作用下， 生成 (Z)-2,5,5,2',5',5'-Hexamethyl-1,1'-dioxy-5H,5'H-[3,3']bipyrrolylidene-4,4'-dione 、 5,5-dimethyl-2-methylthio-4-oxo-3-(4'-oxo-2',5',5'-trimethyl-1-'-pyrroline 1'-oxide-3'-ylidene)-1-pyrroline-1-oxide 、 bis(5,5-dimethyl-2-methylthio-4-oxo-1-pyrroline-1-oxide-3-ylidene)
  参考文献：
  名称：

  Recyclization of enaminocarbonyl and enaminothiocarbonyl imidazolidine and pyrroline derivatives

  摘要：

  It was shown that recyclization of enaminocarbonyl compounds in acid media affords pyrrolinone derivatives. 2-Methylthio-4-oxopyrroline-1-oxide reacts with NaBH4 exclusively at the carbonyl group - and with methylmagnesium iodide, at the nitrone group - with substitution of the methylthiol group for a methyl group.

  DOI：

  10.1007/bf00965435