4-hydroxy-3,5-bis(1,2,2,5,5-pentamethyl-3-imidazoline-1-oxid-4-yl)-2-oxo-1,1,1-trifluoro-4-trifluoromethylpentane | 129994-27-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxy-3,5-bis(1,2,2,5,5-pentamethyl-3-imidazoline-1-oxid-4-yl)-2-oxo-1,1,1-trifluoro-4-trifluoromethylpentane
• 英文别名: 1,1,1,5,5,5-hexafluoro-4-hydroxy-3-(1,2,2,5,5-pentamethyl-3-oxidoimidazol-3-ium-4-yl)-4-[(1,2,2,5,5-pentamethyl-3-oxidoimidazol-3-ium-4-yl)methyl]pentan-2-one
• CAS: 129994-27-0
• 化学式: C₂₂H₃₄F₆N₄O₄
• 分子量: 532.527
• InChiKey: JINFNQVUYPYIKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1,2,2,5,5-pentamethyl-4-(1-oxo-1-trifluoromethylethyl-2)-3-imidazoline-3-oxide 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 以94%的产率得到4-hydroxy-3,5-bis(1,2,2,5,5-pentamethyl-3-imidazoline-1-oxid-4-yl)-2-oxo-1,1,1-trifluoro-4-trifluoromethylpentane
  参考文献：
  名称：

  Oxidative dimerization of heterocyclic nitrones, derivatives of pyrroline and imidazoline

  摘要：

  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.

  DOI：

  10.1007/bf00962395

文献信息

• 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：——