3-(3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl)-4H-chromen-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl)-4H-chromen-4-one
• 英文别名: 3-[3-(Tert-butylamino)imidazo[1,2-a]pyridin-2-yl]chromen-4-one；3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]chromen-4-one
• 化学式: C₂₀H₁₉N₃O₂
• 分子量: 333.39
• InChiKey: CGRIJUUCSMFNEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• 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-氨基吡啶 、 异氰酸叔丁酯 、 色酮-3-甲醛 在 indium(III) chloride 、 氯乙酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以93%的产率得到3-(3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl)-4H-chromen-4-one
  参考文献：
  名称：

  Synthesis of imidazo[1,2-a]pyridin-chromones by a MW assisted Groebke–Blackburn–Bienaymé process

  摘要：

  A series of nine novel imidazo[1,2-a]pyridin-chromones and nine novel imidazo[1,2-a]pyridin-6-fluorochromones were synthesized in good to excellent yields by a MW assisted Groebke-Blackburn-Bienayme reaction (GBB) under mild thermal and acidic conditions. Additionally, optimized geometries for the two non-prepared 5-bromoimidazo[1,2-a]pyridin-chromones were calculated at the TPSSh/6-311G(d) level of theory in order to understand the role of the steric strain in the GBB process. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.11.047

文献信息

• Synthesis of imidazo[1,2-a]pyridin-chromones by a MW assisted Groebke–Blackburn–Bienaymé process
  作者：Kranthi G. Kishore、Unnamatla M.V. Basavanag、Alejandro Islas-Jácome、Rocío Gámez-Montaño

  DOI：10.1016/j.tetlet.2014.11.047

  日期：2015.1

  A series of nine novel imidazo[1,2-a]pyridin-chromones and nine novel imidazo[1,2-a]pyridin-6-fluorochromones were synthesized in good to excellent yields by a MW assisted Groebke-Blackburn-Bienayme reaction (GBB) under mild thermal and acidic conditions. Additionally, optimized geometries for the two non-prepared 5-bromoimidazo[1,2-a]pyridin-chromones were calculated at the TPSSh/6-311G(d) level of theory in order to understand the role of the steric strain in the GBB process. (C) 2014 Elsevier Ltd. All rights reserved.