(4-amino-5-p-methylphenyl-4H-1,2,4-triazol-3-ylsulphanyl)-4-butyronitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4-amino-5-p-methylphenyl-4H-1,2,4-triazol-3-ylsulphanyl)-4-butyronitrile
• 英文别名: 4-[[4-Amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile
• 化学式: C₁₃H₁₅N₅S
• 分子量: 273.362
• InChiKey: WFXHAMUBWVQEBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯丁腈 、 4-氨基-5-对甲苯基-4H-[1,2,4]噻唑-3-硫醇 在 三乙胺 作用下， 以 乙醇 为溶剂， 以35%的产率得到(4-amino-5-p-methylphenyl-4H-1,2,4-triazol-3-ylsulphanyl)-4-butyronitrile
  参考文献：
  名称：

  Selective Alkylation of Aminomercapto-1,2,4-Triazoles: Synthesis of Aminonitriles And Mercaptonitriles

  摘要：

  2-or 3-cyanoalkyl-4-amino-5-aryl-1,2,4-triazoles were synthesized by condensing several 3-mercapto-4-amino-5-aryl- 1,2,4-triazoles with halonitriles Cl(CH2)(n)CN where n=1-3. These reactions afforded new compounds and the use of different bases aids in accomplishing eHclusive N or S alkvlation at 2 or 3 position of the triazoles,

  DOI：

  10.1080/10426500008082401

文献信息

• Selective Alkylation of Aminomercapto-1,2,4-Triazoles: Synthesis of Aminonitriles And Mercaptonitriles
  作者：A. Sauleau、J. Sauleau

  DOI：10.1080/10426500008082401

  日期：2000.1.1

  2-or 3-cyanoalkyl-4-amino-5-aryl-1,2,4-triazoles were synthesized by condensing several 3-mercapto-4-amino-5-aryl- 1,2,4-triazoles with halonitriles Cl(CH2)(n)CN where n=1-3. These reactions afforded new compounds and the use of different bases aids in accomplishing eHclusive N or S alkvlation at 2 or 3 position of the triazoles,