6-acetyl-4'-(methylthio)-2,2':6',2''-terpyridine | 147439-35-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-acetyl-4'-(methylthio)-2,2':6',2''-terpyridine
• 英文别名: 1-[6-(4-methylsulfanyl-6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]ethanone
• CAS: 147439-35-8
• 化学式: C₁₈H₁₅N₃OS
• 分子量: 321.403
• InChiKey: AZONADDPBLONAQ-UHFFFAOYSA-N

物化性质

• 沸点：
  518.1±50.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.74
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,6-bis<3,3-bis(n-propylthio)-1-oxo-2-propen-1-yl>pyridine 、 6-acetyl-4'-(methylthio)-2,2':6',2''-terpyridine 在 potassium tert-butylate 、 ammonium acetate 、 溶剂黄146 作用下， 生成 4',4'''''''-bis(methylthio)-4''',4'''''-tetrakis(n-propylthio)-2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2'''''':6'''''',2''''''':6''''''',2''''''''-novipyridine
  参考文献：
  名称：

  Metal ion-induced self-assembly of functionalized 2,6-oligopyridines. 1. Ligand design, synthesis, and characterization

  摘要：

  Synthetic sequences utilizing alpha-oxoketene dithioacetal and enolate chemistry have been developed for the preparation of new functionalized bipyridines, terpyridines, quaterpyridines, quinquepyridines, sexipyridines, septipyridines, octipyridines, novipyridines, and decipyridines. Obtained in moderate to good yields, these oligopyridines were characterized by analytical and spectral data and, for sexipyridine, by X-ray crystallography.

  DOI：

  10.1021/ja00060a029
• 作为产物：
  描述：

  ethyl 4'-(methylthio)-2,2':6'2"-terpyridine-6-carboxylate 在 盐酸 、 sodium ethanolate 作用下， 以 苯 为溶剂， 反应 22.5h， 生成 6-acetyl-4'-(methylthio)-2,2':6',2''-terpyridine
  参考文献：
  名称：

  Metal ion-induced self-assembly of functionalized 2,6-oligopyridines. 1. Ligand design, synthesis, and characterization

  摘要：

  Synthetic sequences utilizing alpha-oxoketene dithioacetal and enolate chemistry have been developed for the preparation of new functionalized bipyridines, terpyridines, quaterpyridines, quinquepyridines, sexipyridines, septipyridines, octipyridines, novipyridines, and decipyridines. Obtained in moderate to good yields, these oligopyridines were characterized by analytical and spectral data and, for sexipyridine, by X-ray crystallography.

  DOI：

  10.1021/ja00060a029