2-[3-(4-Benzylpiperazin-1-yl)propylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole | 1250257-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[3-(4-Benzylpiperazin-1-yl)propylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
• CAS: 1250257-10-3
• 化学式: C₂₃H₂₈N₄OS
• 分子量: 408.568
• InChiKey: UJKRUAFRQMKPQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  70.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-苄基-4-(3-氯丙基)哌嗪 、 5-邻甲苯-1,3,4-噁二唑-2-硫醇 在 四丁基碘化铵 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以84%的产率得到2-[3-(4-Benzylpiperazin-1-yl)propylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Zinc-Mediated Facile and Efficient ChemoselectiveS-Alkylation of 5-Aryl-1,3,4-oxadiazole-2-thiols in the Absence of Base

  摘要：

  Zinc-mediated facile and efficient chemoselective S-alkylation of 5-aryl 1,3,4-oxadiazole-2-thiols in the presence of a catalytic amount of tetra butyl ammonium iodide was described. The reaction was performed under neutral conditions. The chemoselectivity of the alkylation was confirmed by NMR spectroscopy and x-ray crystallography.

  DOI：

  10.1080/00397910903340660

文献信息

• Zinc-Mediated Facile and Efficient Chemoselective<i>S</i>-Alkylation of 5-Aryl-1,3,4-oxadiazole-2-thiols in the Absence of Base
  作者：M. S. R. Murty、Rayudu Venkateswara Rao、Kesur R. Ram、N. Rami Reddy、J. S. Yadav、B. Sridhar

  DOI：10.1080/00397910903340660

  日期：2010.8.31

  Zinc-mediated facile and efficient chemoselective S-alkylation of 5-aryl 1,3,4-oxadiazole-2-thiols in the presence of a catalytic amount of tetra butyl ammonium iodide was described. The reaction was performed under neutral conditions. The chemoselectivity of the alkylation was confirmed by NMR spectroscopy and x-ray crystallography.