5-(4-methoxy-phenyl)-2-methyl-2,4-dihydro-[1,2,4]triazole-3-thione | 57295-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-methoxy-phenyl)-2-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
• 英文别名: 3-p-Methoxyphenyl-1-methyl-1,2,4-triazolin-5-thion；5-(4-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione
• CAS: 57295-80-4
• 化学式: C₁₀H₁₁N₃OS
• 分子量: 221.283
• InChiKey: QKKXGVPFPMZDPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  69
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(4-methoxy-phenyl)-2-methyl-2,4-dihydro-[1,2,4]triazole-3-thione 在 sodium hydroxide 、 phosphate buffer 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems

  摘要：

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.

  DOI：

  10.1016/0223-5234(96)80367-9
• 作为产物：
  描述：

  1-p-Methoxybenzoyl-2-methylthiosemicarbazid 在 碳酸氢钠 作用下， 生成 5-(4-methoxy-phenyl)-2-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems

  摘要：

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.

  DOI：

  10.1016/0223-5234(96)80367-9

文献信息

• Synthesis and structure—activity relationship of C-3 substituted triazolylthiomethyl cephems
  作者：R Singh、C Fiakpui、J Galpin、J Stewart、MP Singh、RG Micetich

  DOI：10.1016/0223-5234(96)80367-9

  日期：1996.1

  A series of C-3 substituted triazolylthiomethyl cephems with an aminothiazolemethoxyiminoacetamido side chain at C-7 were synthesized and tested for antimicrobial activity against clinically-relevant isolates. The compound with 3-pyridyl at C-5 and methyl at N-4 of the triazole moiety exhibited good antibacterial activity against both Gram-positive and Gram-negative bacteria, with the exception of pseudomonas spp against which none of the derivatives exhibited favorable activity.