(Z)-3-(dimethylamino)-2-(5-phenyl-1H-pyrazol-3-yl)acrylonitrile | 1469863-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (Z)-3-(dimethylamino)-2-(5-phenyl-1H-pyrazol-3-yl)acrylonitrile
• 英文别名: (Z)-3-(dimethylamino)-2-(3-phenyl-1H-pyrazol-5-yl)prop-2-enenitrile
• CAS: 1469863-93-1
• 化学式: C₁₄H₁₄N₄
• 分子量: 238.292
• InChiKey: UPFBAUZYKBLCEO-ZRDIBKRKSA-N

物化性质

• 沸点：
  581.7±50.0 °C(predicted)
• 密度：
  1.166±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基吡啶 、 (Z)-3-(dimethylamino)-2-(5-phenyl-1H-pyrazol-3-yl)acrylonitrile 在 三氟乙酸 作用下， 反应 50.0h， 以31%的产率得到3-(5-phenyl-1H-pyrazol-3-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
  参考文献：
  名称：

  A carbanion induced synthesis of highly congested pyrazole and imidazole containing heterocycles

  摘要：

  An efficient approach to the synthesis of highly congested di, penta and hexacyclic pyrazoles as well as imidazole fragment containing novel heterocyclic molecule has been developed through a carbanion induced transformation of suitably functionalized 2H-pyran-2-ones, benzo[h]chromene and thiochromeno[4,3-b]pyrans. Due to the presence of fluorescence, we report their prime application metal sensor as off/on switching in ferric ions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.095
• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 2-(5-phenyl-1H-pyrazol-3-yl)acetonitrile 以 四氢呋喃 为溶剂， 以85%的产率得到(Z)-3-(dimethylamino)-2-(5-phenyl-1H-pyrazol-3-yl)acrylonitrile
  参考文献：
  名称：

  A carbanion induced synthesis of highly congested pyrazole and imidazole containing heterocycles

  摘要：

  An efficient approach to the synthesis of highly congested di, penta and hexacyclic pyrazoles as well as imidazole fragment containing novel heterocyclic molecule has been developed through a carbanion induced transformation of suitably functionalized 2H-pyran-2-ones, benzo[h]chromene and thiochromeno[4,3-b]pyrans. Due to the presence of fluorescence, we report their prime application metal sensor as off/on switching in ferric ions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.095