| 1210057-80-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1210057-80-9
• 化学式: C₁₅H₁₀F₅N
• 分子量: 299.243
• InChiKey: XRUIZWOUQMTIGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  2,3-二氢呋喃 、 在 2,2,2-三氟乙醇 、 碘 作用下， 反应 12.0h， 以24%的产率得到
  参考文献：
  名称：

  Iodine-promoted imino-Diels–Alder reaction of fluorinated imine with enol ether: synthesis of 2-perfluorophenyl tetrahydroquinoline derivatives

  摘要：

  Iodine was used to catalyze the hetero-Diels-Aider reaction of pentafluorobenzylidineaniline (C6F5CH=NAr 1) with enol ethers to afford the corresponding tetrahydroquinolines derivatives as a mixture of cis/trans stereoisomers in moderate yields. These products could also be prepared by onepot, three-component reaction of pentafluorophenylaldehyde, anilines, and enol ethers under the same reaction condition. Mild and neutral reaction conditions, facile experimental procedure, and low price of iodine should make this method attractive for practical synthesis of many fluorinated tetrahydroquinoline derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.092