(Z)-1-(difluoro(phenyl)methyl)-2-(4,5-dihydro-3H-pyrrol-2-yl)vinylamine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-1-(difluoro(phenyl)methyl)-2-(4,5-dihydro-3H-pyrrol-2-yl)vinylamine
• 英文别名: (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3,3-difluoro-3-phenylprop-1-en-2-amine
• 化学式: C₁₃H₁₄F₂N₂
• 分子量: 236.264
• InChiKey: BERVHZSJDMUZFL-XFXZXTDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (Z)-1-(difluoro(phenyl)methyl)-2-(4,5-dihydro-3H-pyrrol-2-yl)vinylamine 、 三光气 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到3-[difluoro(phenyl)methyl]-6,7-dihydropyrrolo-[1,2-f]pyrimidin-1(5H)-one
  参考文献：
  名称：

  New fluorinated 1,3-vinylogous amidines as versatile intermediates: synthesis of fluorinated pyrimidin-2(1H)-ones

  摘要：

  The condensation of the azaenolates derived from readily available ketimines with fluorinated nitriles offers an efficient and straightforward entry to new fluorinated 1,3-vinylogous amidines. These versatile compounds, in turn, react with triphosgene to yield new fluorinated pyrimidin-2(1H)-ones in high yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.11.013
• 作为产物：
  描述：

  2-甲基吡咯啉 、 2,2-二氟-2-苯乙腈 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以87%的产率得到(Z)-1-(difluoro(phenyl)methyl)-2-(4,5-dihydro-3H-pyrrol-2-yl)vinylamine
  参考文献：
  名称：

  New fluorinated 1,3-vinylogous amidines as versatile intermediates: synthesis of fluorinated pyrimidin-2(1H)-ones

  摘要：

  The condensation of the azaenolates derived from readily available ketimines with fluorinated nitriles offers an efficient and straightforward entry to new fluorinated 1,3-vinylogous amidines. These versatile compounds, in turn, react with triphosgene to yield new fluorinated pyrimidin-2(1H)-ones in high yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.11.013

文献信息

• New fluorinated 1,3-vinylogous amidines as versatile intermediates: synthesis of fluorinated pyrimidin-2(1H)-ones
  作者：Santos Fustero、Julio Piera、Juan F. Sanz-Cervera、Raquel Román、Benjamin H. Brodsky、María Sánchez-Roselló、José Luis Aceña、Carmen Ramírez de Arellano

  DOI：10.1016/j.tet.2005.11.013

  日期：2006.2

  The condensation of the azaenolates derived from readily available ketimines with fluorinated nitriles offers an efficient and straightforward entry to new fluorinated 1,3-vinylogous amidines. These versatile compounds, in turn, react with triphosgene to yield new fluorinated pyrimidin-2(1H)-ones in high yields. (c) 2005 Elsevier Ltd. All rights reserved.