3-(4''-acetylphenyl)-dipyrido[1,2-b;3',2'-d]pyrazole | 1087037-24-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4''-acetylphenyl)-dipyrido[1,2-b;3',2'-d]pyrazole
• 英文别名: 1-[4-(6,8,9-Triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-4-yl)phenyl]ethanone
• CAS: 1087037-24-8
• 化学式: C₁₈H₁₃N₃O
• 分子量: 287.321
• InChiKey: VWHWCDBUEZZZFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  47.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-[(5-(4'-acetylphenyl)-3-bromopyridin-2-yl)-(4'-methylbenzoyl)-amino]pyridinium chloride 在 四丁基溴化铵 、 palladium diacetate 、 potassium carbonate 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以51%的产率得到3-(4''-acetylphenyl)-dipyrido[1,2-b;3',2'-d]pyrazole
  参考文献：
  名称：

  A New Class of Pyrazolopyridine Nucleus with Fluorescent Properties, Obtained through Either a Radical or a Pd Arylation Pathway from N-Azinylpyridinium N-Aminides

  摘要：

  The synthesis of dipyridopyrazole and pyridopyrazolopyrazine derivatives--both of which incorporate a 3-aryl moiety--can be achieved in moderate yields by intramolecular radical arylation of pyridinium N-aminides using tris(trimethylsilyl)silane and azobisisobutyronitrile. Improved results were obtained on using Pd direct arylation in conjunction with microwave irradiation. A preliminary study into the fluorescent properties of the target compounds is also reported.

  DOI：

  10.1021/jo801549u

文献信息

• A New Class of Pyrazolopyridine Nucleus with Fluorescent Properties, Obtained through Either a Radical or a Pd Arylation Pathway from <i>N</i>-Azinylpyridinium <i>N</i>-Aminides
  作者：Valentina Abet、Araceli Nuñez、Francisco Mendicuti、Carolina Burgos、Julio Alvarez-Builla

  DOI：10.1021/jo801549u

  日期：2008.11.21

  The synthesis of dipyridopyrazole and pyridopyrazolopyrazine derivatives--both of which incorporate a 3-aryl moiety--can be achieved in moderate yields by intramolecular radical arylation of pyridinium N-aminides using tris(trimethylsilyl)silane and azobisisobutyronitrile. Improved results were obtained on using Pd direct arylation in conjunction with microwave irradiation. A preliminary study into the fluorescent properties of the target compounds is also reported.