1-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine | 1283536-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine
• 英文别名: 1-(Trifluoromethyl)-3H,4H-pyrrolo[1,2-a]pyrazine
• CAS: 1283536-75-3
• 化学式: C₈H₇F₃N₂
• 分子量: 188.152
• InChiKey: ZEJNJVJOPFBOQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 336.0h， 以90%的产率得到1-(difluromethyl)pyrrolo[1,2-a]pyrazine
  参考文献：
  名称：

  1-(Trifluoromethyl)-3,4-dihydropyrrolo-[1,2-a] pyrazines: synthesis and reactions with O- and N-nucleophiles

  摘要：

  The method of synthesis has been developed and reactions of 1-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazines with O- and N-nucleophiles have been studied. It was found that reactions of nucleophiles with 1-(trifluoro-methyl)pyrrolo[1,2-a]pyrazines transforms the trifluoromethyl group to amide and amidine groups together with aromatization of the pyrrolo[1,2-a]pyrazine system as a result of the formal elimination of a molecule of hydrogen fluoride.

  DOI：

  10.1007/s10593-011-0663-x
• 作为产物：
  描述：

  2,2,2-三氟-1-呋喃-2-乙酮 、 乙二胺 以 苯 为溶剂， 反应 3.0h， 以27%的产率得到1-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine
  参考文献：
  名称：

  1-(Trifluoromethyl)-3,4-dihydropyrrolo-[1,2-a] pyrazines: synthesis and reactions with O- and N-nucleophiles

  摘要：

  The method of synthesis has been developed and reactions of 1-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazines with O- and N-nucleophiles have been studied. It was found that reactions of nucleophiles with 1-(trifluoro-methyl)pyrrolo[1,2-a]pyrazines transforms the trifluoromethyl group to amide and amidine groups together with aromatization of the pyrrolo[1,2-a]pyrazine system as a result of the formal elimination of a molecule of hydrogen fluoride.

  DOI：

  10.1007/s10593-011-0663-x

文献信息

• 1-(Trifluoromethyl)-3,4-dihydropyrrolo-[1,2-a] pyrazines: synthesis and reactions with O- and N-nucleophiles
  作者：V. I. Terenin、M. V. Galkin、E. V. Kabanova、A. S. Ivanov

  DOI：10.1007/s10593-011-0663-x

  日期：2011.1

  The method of synthesis has been developed and reactions of 1-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazines with O- and N-nucleophiles have been studied. It was found that reactions of nucleophiles with 1-(trifluoro-methyl)pyrrolo[1,2-a]pyrazines transforms the trifluoromethyl group to amide and amidine groups together with aromatization of the pyrrolo[1,2-a]pyrazine system as a result of the formal elimination of a molecule of hydrogen fluoride.