2,6-bis(6-(4-methylphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl)pyridine | 944727-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-bis(6-(4-methylphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl)pyridine
• 英文别名: 6-(4-Methylphenyl)-3-[6-[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridin-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole；6-(4-methylphenyl)-3-[6-[6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridin-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• CAS: 944727-79-1
• 化学式: C₂₅H₁₇N₉S₂
• 分子量: 507.602
• InChiKey: MJENFDVVTJNOFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  156
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  吡啶-2.6-二羧酸二甲酯 在 一水合肼 、 potassium hydroxide 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 36.0h， 生成 2,6-bis(6-(4-methylphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl)pyridine
  参考文献：
  名称：

  Synthesis and antibacterial activity evaluation of 2,6-bis(6-substituted-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl)pyridine derivatives

  摘要：

  The reaction of 5,5'-(pyridine-2,6-diyl)bis(4-amino-3-mercapto-1,2,4-triazole) with various carboxylic acid in phosphorus oxychloride yielded the corresponding 2,6-bis(6-substituted-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl)pyridine derivatives 6a-l. The structures of the newly synthesized compounds were confirmed by elemental analysis, H-1 NMR and C-13 NMR spectral, mass spectral, and Infrared spectral studies. All the synthesized target compounds have been investigated for their in vitro antibacterial activity, and the preliminary results revealed that the compounds 6b and 6k exhibited very promising activity against Escherichia coli and Pseudomonas aeruginosa.

  DOI：

  10.1007/s00044-013-0790-2

文献信息

• Synthesis and antibacterial activity evaluation of 2,6-bis(6-substituted-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl)pyridine derivatives
  作者：Haihua Xiao、Pingliang Li、Dongcai Guo、Jinhui Hu、Yuchao Chai、Wei He

  DOI：10.1007/s00044-013-0790-2

  日期：2014.4

  The reaction of 5,5'-(pyridine-2,6-diyl)bis(4-amino-3-mercapto-1,2,4-triazole) with various carboxylic acid in phosphorus oxychloride yielded the corresponding 2,6-bis(6-substituted-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl)pyridine derivatives 6a-l. The structures of the newly synthesized compounds were confirmed by elemental analysis, H-1 NMR and C-13 NMR spectral, mass spectral, and Infrared spectral studies. All the synthesized target compounds have been investigated for their in vitro antibacterial activity, and the preliminary results revealed that the compounds 6b and 6k exhibited very promising activity against Escherichia coli and Pseudomonas aeruginosa.