4-(4-amino-5-(2-(methylthio)phenyl)-4H-1,2,4-triazol-3-ylthio)butan-1-ol | 1443439-22-2

• 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-(4-amino-5-(2-(methylthio)phenyl)-4H-1,2,4-triazol-3-ylthio)butan-1-ol
• 英文别名: 4-[[4-Amino-5-(2-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-ol；4-[[4-amino-5-(2-methylsulfanylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-ol
• CAS: 1443439-22-2
• 化学式: C₁₃H₁₈N₄OS₂
• 分子量: 310.444
• InChiKey: QMXHWRAZSAGAAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氨基-5-(2-甲基苯基)-4H-1,2,4-噻唑-3-硫醇 在 水 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 2.0h， 生成 4-(4-amino-5-(2-(methylthio)phenyl)-4H-1,2,4-triazol-3-ylthio)butan-1-ol
  参考文献：
  名称：

  Synthesis, Antiviral, and Antimicrobial Activity of 1,2,4-Triazole Thioglycoside Derivatives

  摘要：

  The reaction of 5-(2-methylthio)phenyl-1,2,4-triazole-3-thiol with glucosyl, galactosyl, lactosyl bromide, and peracetylated ribose under the conventional and microwave irradiation methods afforded the corresponding S-glycosides. Deacetylation of S-glycosides gave the corresponding deacetylated derivatives. Reaction of 5-(2-methylthio)phenyl-1,2,4-triazole-3-thiol with 4-acetoxybutyl bromide, 2-acetoxyethoxymethyl bromide, 3-chloropropanol, 1,3-dichloroopropan-2-ol, epichlorohydrin, allyl bromide, and propargayl bromide gave the corresponding S-acyclonucleosides, which were deacetylated to give the corresponding deacetylated compounds. All the newly synthesized compounds were characterized by the IR, H-1, C-13 NMR, and elemental analyses. Some of these compounds were screened for their antiviral and antimicrobial activity.

  DOI：

  10.1080/10426507.2012.668990