Bis(5,5-dimethyl-1-hydroxo-4-oxo-2-phenyl-pyrrolin-2-yl-3) | 129994-19-0

• 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: Bis(5,5-dimethyl-1-hydroxo-4-oxo-2-phenyl-pyrrolin-2-yl-3)
• 英文别名: bis(1-hydroxy-4-oxo-5,5-dimethyl-2-phenylpyrrolin-2-yl-3)；1-hydroxy-4-(1-hydroxy-5,5-dimethyl-4-oxo-2-phenylpyrrol-3-yl)-2,2-dimethyl-5-phenylpyrrol-3-one
• CAS: 129994-19-0
• 化学式: C₂₄H₂₄N₂O₄
• 分子量: 404.466
• InChiKey: SOMXZHAZFIRQLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  81.08
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Bis(5,5-dimethyl-1-hydroxo-4-oxo-2-phenyl-pyrrolin-2-yl-3) 生成 3,3'-bis[(2-phenyl-5,5-dimethyl-4-oxopyrrolinylidene)1,1'-dioxide]
  参考文献：
  名称：

  Crystal structure of bis(5,5-dimethyl-1-hydroxo-4-oxo-2-phenyl-pyrrolin-2-YL-3), recyclization product of 3-imidazoline enaminoketone

  摘要：

  DOI：

  10.1007/bf02578295
• 作为产物：
  描述：

  Nitroxide 4-phenylacetylidene-2,2,5,5-tetramethyl-3-imidazolidine-1-oxyl 在 rhodium(III) chloride 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 Bis(5,5-dimethyl-1-hydroxo-4-oxo-2-phenyl-pyrrolin-2-yl-3)
  参考文献：
  名称：

  Crystal structure of bis(5,5-dimethyl-1-hydroxo-4-oxo-2-phenyl-pyrrolin-2-YL-3), recyclization product of 3-imidazoline enaminoketone

  摘要：

  DOI：

  10.1007/bf02578295

文献信息

• Oxidative dimerization of heterocyclic nitrones, derivatives of pyrroline and imidazoline
  作者：V. A. Reznikov、V. V. Martin、L. B. Volodarskii

  DOI：10.1007/bf00962395

  日期：1990.6

  The oxidation of beta-oxonitrones, derivatives of pyrroline and imidazoline, afforded symmetric dimers with a C-C bond and dehydrodimers with a C = C bond. Oxidation of the trifluoroacetyl imidazoline derivative afforded an asymmetric dimer. The oxidative dimerization of endocyclic beta-oxonitrones, derivatives of pyrroline, proceeded much faster than that of exocyclic beta-oxonitrones, derivatives of imidazoline. Imidazoline derivatives containing a perfluorophenyl or cyano group at the alpha-carbon atom on the nitrone group also underwent oxidative dimerization.
• REZNIKOV, V. A.;MARTIN, V. V.;VOLODARSKIJ, L. B., IZV. AN CCCP. CEP. XIM.,(1990) N, S. 1398-1404
  作者：REZNIKOV, V. A.、MARTIN, V. V.、VOLODARSKIJ, L. B.

  DOI：——

  日期：——