N-(3-nitrophenyl)-3-amino-3-(2-fluorophenyl)-1-phenylprop-1-yne | 1354381-96-6

• 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: N-(3-nitrophenyl)-3-amino-3-(2-fluorophenyl)-1-phenylprop-1-yne
• CAS: 1354381-96-6
• 化学式: C₂₁H₁₅FN₂O₂
• 分子量: 346.361
• InChiKey: KIYSMSVUBYUGGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  55.17
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(3-nitrophenyl)-3-amino-3-(2-fluorophenyl)-1-phenylprop-1-yne 在 montmorillonite clay doped with CuCl 、 air 作用下， 反应 0.1h， 以40%的产率得到(E)-3-(2-fluorophenyl)-1-phenylprop-2-en-1-one
  参考文献：
  名称：

  Microwave promoted one-pot preparation of fluorinated propargylamines and their chemical transformation

  摘要：

  A series of fluorinated propargylamines have been synthesized from the one-pot three-component reaction of fluorobenzaldehyde, aniline and phenylacetylene under solvent-free and microwave irradiation. The fluorinated propargylamines were then further transformed to chalcones or quinoline derivatives respectively depending on the different structures of propargylamines. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.08.005
• 作为产物：
  描述：

  2-氟苯甲醛 、 苯乙炔 、 间硝基苯胺 在 copper(l) chloride 作用下， 反应 0.03h， 以43%的产率得到N-(3-nitrophenyl)-3-amino-3-(2-fluorophenyl)-1-phenylprop-1-yne
  参考文献：
  名称：

  Microwave promoted one-pot preparation of fluorinated propargylamines and their chemical transformation

  摘要：

  A series of fluorinated propargylamines have been synthesized from the one-pot three-component reaction of fluorobenzaldehyde, aniline and phenylacetylene under solvent-free and microwave irradiation. The fluorinated propargylamines were then further transformed to chalcones or quinoline derivatives respectively depending on the different structures of propargylamines. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.08.005