[4-(2-Hydroxy-ethyl)-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid ethyl ester | 717847-09-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [4-(2-Hydroxy-ethyl)-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid ethyl ester
• 英文别名: Ethyl 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate；ethyl 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
• CAS: 717847-09-1
• 化学式: C₁₂H₁₅N₅O₃S
• 分子量: 309.349
• InChiKey: PCOMDDXJYDOJCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  128
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [4-(2-Hydroxy-ethyl)-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid ethyl ester 在 ammonium hydroxide 作用下， 反应 72.0h， 以60%的产率得到4-β-hydroxyethyl-5-pyrazino-3-thioacetamido-1,2,4-triazole
  参考文献：
  名称：

  STUDIES ON PYRAZINE DERIVATIVES. XL. SYNTHESIS, REACTIVITY, AND TUBERCULOSTATIC ACTIVITY OF 4-HYDROXYALKYL-5-PYRAZINYL4H-[1,2,4]-TRIAZOLE-3-THIONES

  摘要：

  In the reactions of pirazinoyldithiocarbazoic acid monoester with aminoalcohols, 4-hydroxyalkyl-1,2,4-triazole-3-thiones were obtained. Their susceptibility to alkylation, as well as the condensed heterocyclic 1,3-thiazacycloalkyl[3,2-b]-1,2,4-thiazoles(1) formation ability, were examined. Some of the compounds obtained were tested for their tuberculostatic activity.

  DOI：

  10.1080/10426500490485534
• 作为产物：
  描述：

  N'-(pyrazine-2-carbonyl)-hydrazinecarbodithioic acid methyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 [4-(2-Hydroxy-ethyl)-5-pyrazin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid ethyl ester
  参考文献：
  名称：

  STUDIES ON PYRAZINE DERIVATIVES. XL. SYNTHESIS, REACTIVITY, AND TUBERCULOSTATIC ACTIVITY OF 4-HYDROXYALKYL-5-PYRAZINYL4H-[1,2,4]-TRIAZOLE-3-THIONES

  摘要：

  In the reactions of pirazinoyldithiocarbazoic acid monoester with aminoalcohols, 4-hydroxyalkyl-1,2,4-triazole-3-thiones were obtained. Their susceptibility to alkylation, as well as the condensed heterocyclic 1,3-thiazacycloalkyl[3,2-b]-1,2,4-thiazoles(1) formation ability, were examined. Some of the compounds obtained were tested for their tuberculostatic activity.

  DOI：

  10.1080/10426500490485534