2-(butylthio)-5-(4-pyridyl)-1,3,4-oxadiazole | 892427-98-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(butylthio)-5-(4-pyridyl)-1,3,4-oxadiazole
• 英文别名: 2-Butylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
• CAS: 892427-98-4
• 化学式: C₁₁H₁₃N₃OS
• 分子量: 235.31
• InChiKey: XAJZADXFYMVWIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 二硫化碳 、 异烟肼 在 三乙胺 作用下， 以 水 为溶剂， 反应 15.0h， 以90%的产率得到2-(butylthio)-5-(4-pyridyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  A novel one-pot synthesis of 2-alkylthio-1,3,4-oxadiazoles in water

  摘要：

  A facile and one-pot protocol for the synthesis of 2-alkylthio-1,3,4-oxadiazoles is reported. This green method relies on the reaction of acid hydrazides with CS2 and an alkyl halide. The reaction is carried out under mild and environmentally friendly procedure in water with high to excellent yields. Thirteen different valuable alkylthio-1,3,4-oxadiazoles are synthesized from cheap and easily available CS2 with this method. This is the first report for the synthesis of 1,3,4-oxadiazoles in water.

  DOI：

  10.1007/bf03249086

文献信息

• A novel one-pot synthesis of 2-alkylthio-1,3,4-oxadiazoles in water
  作者：F. Aryanasab、H. Maleki、M. R. Saidi

  DOI：10.1007/bf03249086

  日期：2011.6

  A facile and one-pot protocol for the synthesis of 2-alkylthio-1,3,4-oxadiazoles is reported. This green method relies on the reaction of acid hydrazides with CS2 and an alkyl halide. The reaction is carried out under mild and environmentally friendly procedure in water with high to excellent yields. Thirteen different valuable alkylthio-1,3,4-oxadiazoles are synthesized from cheap and easily available CS2 with this method. This is the first report for the synthesis of 1,3,4-oxadiazoles in water.