1-[4-(Dimethylamino)phenyl]-2-(5-methylpyrazin-2-yl)ethanone | 1350294-46-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(Dimethylamino)phenyl]-2-(5-methylpyrazin-2-yl)ethanone
• 英文别名: 1-[4-(dimethylamino)phenyl]-2-(5-methylpyrazin-2-yl)ethanone
• CAS: 1350294-46-0
• 化学式: C₁₅H₁₇N₃O
• 分子量: 255.319
• InChiKey: JRQFYKYZHZCFLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[4-(Dimethylamino)phenyl]-2-(5-methylpyrazin-2-yl)ethanone 在 三氟化硼乙醚 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以93%的产率得到NMe2_BF2
  参考文献：
  名称：

  Synthesis and Fluorescence Properties of Novel Pyrazine–Boron Complexes Bearing a β-Iminoketone Ligand

  摘要：

  A novel fluorescence dye based on pyrazine-boron complexes bearing a beta-iminoketone ligand has been synthesized by using a simple two-step reaction. Synthesized complexes exhibited fluorescence in solution (F-max: 472-604 nm) and in the solid state (F-max: 496-624 nm). These complexes showed a larger Stokes shift(3690-4900 cm(-1)) than well-known boron dipyrromethene dyes (400-600 cm(-1), in most cases).

  DOI：

  10.1021/ol202819w
• 作为产物：
  描述：

  2,5-二甲基吡嗪 、 4-二甲氨基苯甲酸甲酯 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 24.0h， 以50%的产率得到1-[4-(Dimethylamino)phenyl]-2-(5-methylpyrazin-2-yl)ethanone
  参考文献：
  名称：

  Synthesis and Fluorescence Properties of Novel Pyrazine–Boron Complexes Bearing a β-Iminoketone Ligand

  摘要：

  A novel fluorescence dye based on pyrazine-boron complexes bearing a beta-iminoketone ligand has been synthesized by using a simple two-step reaction. Synthesized complexes exhibited fluorescence in solution (F-max: 472-604 nm) and in the solid state (F-max: 496-624 nm). These complexes showed a larger Stokes shift(3690-4900 cm(-1)) than well-known boron dipyrromethene dyes (400-600 cm(-1), in most cases).

  DOI：

  10.1021/ol202819w

文献信息

• Synthesis and Fluorescence Properties of Novel Pyrazine–Boron Complexes Bearing a β-Iminoketone Ligand
  作者：Yasuhiro Kubota、Hiroshi Hara、Syunki Tanaka、Kazumasa Funabiki、Masaki Matsui

  DOI：10.1021/ol202819w

  日期：2011.12.16

  A novel fluorescence dye based on pyrazine-boron complexes bearing a beta-iminoketone ligand has been synthesized by using a simple two-step reaction. Synthesized complexes exhibited fluorescence in solution (F-max: 472-604 nm) and in the solid state (F-max: 496-624 nm). These complexes showed a larger Stokes shift(3690-4900 cm(-1)) than well-known boron dipyrromethene dyes (400-600 cm(-1), in most cases).