2-(3-phenylprop-2-enoylamino)ethyl 3-phenylprop-2-enoate | 43196-28-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-(3-phenylprop-2-enoylamino)ethyl 3-phenylprop-2-enoate
• CAS: 43196-28-7
• 化学式: C₂₀H₁₉NO₃
• 分子量: 321.376
• InChiKey: QMOVVLYBZSQZKG-UHFFFAOYSA-N

物化性质

• 沸点：
  568.7±50.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  24.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(三氟甲基)-1,2-苯碘酰-3(1H)-酮 、 2-(3-phenylprop-2-enoylamino)ethyl 3-phenylprop-2-enoate 在 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以62%的产率得到
  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.