(E)-3-(4-methoxyphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one | 1568111-73-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-3-(4-methoxyphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
• CAS: 1568111-73-8
• 化学式: C₁₇H₁₃F₃O₂
• 分子量: 306.284
• InChiKey: CDVAMRXTMCEFOD-RVDMUPIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(三氟甲基)-1,2-苯碘酰-3(1H)-酮 、 4-甲氧基查耳酮 在 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以78%的产率得到(E)-3-(4-methoxyphenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
  参考文献：
  名称：

  Catalytic C–H α-Trifluoromethylation of α,β-Unsaturated Carbonyl Compounds

  摘要：

  A copper(I)-catalyzed, regioselective C-H alpha-trifluoromethylation of alpha,beta-unsaturated carbonyl compounds using Togni's reagent was developed. Diverse substrates, including enones as well as alpha,beta-unsaturated esters, thioesters, and amides, stereospecifically afforded the corresponding (E)-alpha-trifluoromethylated products in moderate to high yields. Further, this method was applied to the C-H trifluoromethylation of drugs.

  DOI：

  10.1021/ol5004498

文献信息

• Catalytic C–H α-Trifluoromethylation of α,β-Unsaturated Carbonyl Compounds
  作者：Zhongxue Fang、Yongquan Ning、Pengbing Mi、Peiqiu Liao、Xihe Bi

  DOI：10.1021/ol5004498

  日期：2014.3.7

  A copper(I)-catalyzed, regioselective C-H alpha-trifluoromethylation of alpha,beta-unsaturated carbonyl compounds using Togni's reagent was developed. Diverse substrates, including enones as well as alpha,beta-unsaturated esters, thioesters, and amides, stereospecifically afforded the corresponding (E)-alpha-trifluoromethylated products in moderate to high yields. Further, this method was applied to the C-H trifluoromethylation of drugs.