2-hydroxy-1-(2'-phenylamino)phenyl-2-trifluoromethyl-3,3,3-trifluoropropan-1-one | 1145728-03-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-hydroxy-1-(2'-phenylamino)phenyl-2-trifluoromethyl-3,3,3-trifluoropropan-1-one
• CAS: 1145728-03-5
• 化学式: C₁₆H₁₁F₆NO₂
• 分子量: 363.259
• InChiKey: SQNWNUATJRTCQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  49.33
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1,2-diphenyl-4,4-bis(trifluoromethyl)-1-hydrobenzo[d][1,3,2]oxazaphosphepin-5(4H)-one 2-oxide 以 acidic aq. solution 、 乙醇 为溶剂， 反应 36.0h， 生成 2-hydroxy-1-(2'-phenylamino)phenyl-2-trifluoromethyl-3,3,3-trifluoropropan-1-one
  参考文献：
  名称：

  Reaction of 2-R-benzo[d]-1,3,2-oxazophosphorin-8-one with hexafluoroacetone. Synthesis and steric structure of 3-phenyl-9,9-bis(trifluoromethyl)-2-ethoxybenzo[d]-1,3,2-oxazaphosphepine-2,8-dione

  摘要：

  Reaction of hexafluoroacetone with 2-R-benzo[d]-1,3,2-oxazophosphorin-8-ones leads to the formation of seven-membered nitrogen-containing heterocycles, the derivatives of 3-phenyl-9,9-bis (trifluoromethyl)benzo[d]-1,3,2-oxaza-phosphepine-2,8-diones. Steric structure of 2,3-diphenyl-9,9-bis (trifluoromethyl)-benzo[d]-1,3,2-oxazaphosphepine-2,8-di-one was established by X-ray structural analysis. By hydrolysis of the phosphepines a functionally substituted fluorinated ketone, 2-hydroxy-1-(2'phenylamino)phenyl-2-trifluoromethyl-3,3,3-trifluoro)propan-1-one, was obtained.

  DOI：

  10.1134/s1070363208030110