2-[4-(3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)phenyl]-6-phenyl-4H-pyran-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[4-(3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)phenyl]-6-phenyl-4H-pyran-4-one
• 英文别名: 2-[4-[3-(Cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]-6-phenylpyran-4-one；2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]-6-phenylpyran-4-one
• 化学式: C₃₀H₂₇N₃O₂
• 分子量: 461.563
• InChiKey: ZZISPBFVIBTJLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-甲基苯基)-6-苯基吡喃-4-酮 在 bismuth(III) chloride 、 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 乙醇 、 氯仿 、 水 为溶剂， 反应 72.55h， 生成 2-[4-(3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl)phenyl]-6-phenyl-4H-pyran-4-one
  参考文献：
  名称：

  Synthesis, spectroscopic and DFT studies of novel fluorescent dyes: 3-Aminoimidazo[1,2-a]pyridines possessing 4-pyrone moieties

  摘要：

  A series of novel imidazo[1,2-a]pyridines possessing 4-pyrone ring were synthesized by three-component condensation of 4-pyrone carbaldehydes, 2-aminopyridines and isocyanides. Bismuth (III) chloride was used as a catalyst in these reactions and desired products were synthesized in good yields at a very short period of time under solvent free conditions. UV-Vis absorption and fluorescence emission spectra of these compounds were investigated. It shown that two of these compounds (10f and 10g) exhibit intense fluorescence in dichloromethane. Optimized ground-state molecular geometries and orbital distributions of these two fluorescent dyes were obtained using density functional theory (DFT). Thermogravimetric analysis and electrochemical properties of these compounds were also studied. (C) 2013 Published by Elsevier B.V.

  DOI：

  10.1016/j.saa.2013.09.056