di[1-hydroxy(2-trifluoromethylphenyl)methyl]peroxide | 1222313-03-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: di[1-hydroxy(2-trifluoromethylphenyl)methyl]peroxide
• 英文别名: Di[1-hydroxy(2-trifluoromethylphenyl)methyl] peroxide；[hydroxy-[2-(trifluoromethyl)phenyl]methyl]peroxy-[2-(trifluoromethyl)phenyl]methanol
• CAS: 1222313-03-2
• 化学式: C₁₆H₁₂F₆O₄
• 分子量: 382.259
• InChiKey: SCEHCNSKNVWIEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  邻三氟甲基苯甲醛 在 双氧水 作用下， 以 水 为溶剂， 以74%的产率得到di[1-hydroxy(2-trifluoromethylphenyl)methyl]peroxide
  参考文献：
  名称：

  Synthesis and features of thermolysis of fluorine-containing aromatic 1-hydroxy-1-hydroperoxides and 1,1′-dihydroperoxides

  摘要：

  Aromatic fluorine-containing 1-hydroxy-1-hydroperoxides and 1,1'-dihydroxyperoxides were obtained and their thermolysis features were studied. The fluorine atoms incorporation into the aromatic ring of 1-hydroxy-1-hydroperoxides was found to lead to their thermal stability increase. 1,1'-Dihydroxyperoxides are the less thermal stable than 1-hydroxy-1-hydroperoxides. Compared to the fluorine atoms, incorporation of fluoroalkyl groups into the aromatic ring exerts greater effect on the stability of the peroxide.

  DOI：

  10.1134/s1070363209020121