3-benzylamino-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-benzylamino-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-one
• 英文别名: (Z)-3-(benzylamino)-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-one
• 化学式: C₁₇H₁₃F₃N₂O₄
• 分子量: 366.296
• InChiKey: MVWKUBRUCMTGQI-SXGWCWSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  苄胺 、 6-nitro-2-(trifluoromethyl)-4H-chromen-4-one 以 乙醇 为溶剂， 以62%的产率得到3-benzylamino-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-one
  参考文献：
  名称：

  摘要：

  The reactions of 6-vitro-2-trifluoromethylchromone with benzylamine, ethanolamine, and aniline afforded 3-benzyl(2-hydroxyethyl,phenyl)amino-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-ones, respectively, whereas the reactions with ethylenediamine and diethylenetriamine gave rise to 5-(2-hydroxy-5-nitrophenyl)-7-trifluoromethyl-2,3-dihydro-1H-1,4-diazepine and 5-(2-hydroxy-5-nitrophenyl)-7-trifluoromethyl-1,4,8-triazabicyclo[5.3,0]dec-4-ene, respectively. Morpholine added at the double bond of 2-trifluoromethyl- and 6-nitro-2-trifluoromethylchromones to form 2-morpholino-2-trifluoromethylchroman-4-one and its 6-nitro-substituted analog, respectively, whereas piperidine reacted only with 2-trifluoromethylchromone to yield 2-piperidino-2-trifluoromethylchroman-4-one.

  DOI：

  10.1023/a:1012741224882

文献信息

• ——
  作者：V. Ya. Sosnovskikh、B. I. Usachev

  DOI：10.1023/a:1012741224882

  日期：——

  The reactions of 6-vitro-2-trifluoromethylchromone with benzylamine, ethanolamine, and aniline afforded 3-benzyl(2-hydroxyethyl,phenyl)amino-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-ones, respectively, whereas the reactions with ethylenediamine and diethylenetriamine gave rise to 5-(2-hydroxy-5-nitrophenyl)-7-trifluoromethyl-2,3-dihydro-1H-1,4-diazepine and 5-(2-hydroxy-5-nitrophenyl)-7-trifluoromethyl-1,4,8-triazabicyclo[5.3,0]dec-4-ene, respectively. Morpholine added at the double bond of 2-trifluoromethyl- and 6-nitro-2-trifluoromethylchromones to form 2-morpholino-2-trifluoromethylchroman-4-one and its 6-nitro-substituted analog, respectively, whereas piperidine reacted only with 2-trifluoromethylchromone to yield 2-piperidino-2-trifluoromethylchroman-4-one.