6-amino-5-(benzo[d][1,3]dioxol-5-yl(ethylthio)methyl)nicotinonitrile | 1015250-29-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 6-amino-5-(benzo[d][1,3]dioxol-5-yl(ethylthio)methyl)nicotinonitrile
• 英文别名: 6-Amino-5-[1,3-benzodioxol-5-yl(ethylsulfanyl)methyl]pyridine-3-carbonitrile
• CAS: 1015250-29-9
• 化学式: C₁₆H₁₅N₃O₂S
• 分子量: 313.38
• InChiKey: XWJOSPKEFGMBEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (Z)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-4-(bis(ethylthio)methylene)pentanedinitrile 在 乙酸铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以85%的产率得到6-amino-5-(benzo[d][1,3]dioxol-5-yl(ethylthio)methyl)nicotinonitrile
  参考文献：
  名称：

  Temperature-Controlled Synthesis of Substituted Pyridine Derivatives via the [5C + 1N] Annulation of 1,1-Bisalkylthio-1,4-pentanedienes and Ammonium Acetate

  摘要：

  A novel temperature-control led one-pot synthesis of substituted pyridine derivatives via [5C + 1N] annulation of 1,1-bisalkylthio-1,4-pentanedienes and ammonium acetate is developed, and possible mechanisms leading to the divergent formation of the two types of pyridines are discussed.

  DOI：

  10.1021/jo702586p

文献信息

• Temperature-Controlled Synthesis of Substituted Pyridine Derivatives via the [5C + 1N] Annulation of 1,1-Bisalkylthio-1,4-pentanedienes and Ammonium Acetate
  作者：Jianglei Hu、Qian Zhang、Hongjuan Yuan、Qun Liu

  DOI：10.1021/jo702586p

  日期：2008.3.1

  A novel temperature-control led one-pot synthesis of substituted pyridine derivatives via [5C + 1N] annulation of 1,1-bisalkylthio-1,4-pentanedienes and ammonium acetate is developed, and possible mechanisms leading to the divergent formation of the two types of pyridines are discussed.