(E)-5-methyl-4-((pyridin-4-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione

• 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: (E)-5-methyl-4-((pyridin-4-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 英文别名: 3-methyl-4-[(E)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
• 化学式: C₉H₉N₅S
• 分子量: 219.27
• InChiKey: HULGOPLMMHSATQ-IZZDOVSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  85
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-5-methyl-4-((pyridin-4-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 1.0h， 以76%的产率得到
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Some Novel S-β-D-Glucosides of 4-Amino-5-alkyl-1,2,4-triazole-3-thiones Derivatives

  摘要：

  A novel series of 3-S-beta-D glucosides-4-arylideneamino-5-alkyl-1,2,4-triazoles were designed and synthesized by reaction of 4-amino-5-alkyl-4H-1,2,4triazole-3-thiol Schiff bases and 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl bromide. The structures of the target compounds have been characterized by H-1 NMR,C-13 NMR, FT-IR, and Microanalyses. All the newly synthesized compounds have been screened for their in vitro antibacterial and antifungal activities against two Gram-positive bacteria [Bacillus cereus (PTCC 1015) and Staphylococcus aureus (ATCC 25923)], two Gram-negative bacteria [Pseudomonas aeruginosa (ATCC 27853) and Escherichia coli (PTCC 1399) and two fungi [Aspergillus niger (PTCC 5012) and Candida albicans (PTCC 5027)].

  DOI：

  10.17344/acsi.2018.4841
• 作为产物：
  描述：

  4-吡啶甲醛 、 4-氨基-5-甲基-4H-3-巯基-1,2,4-三唑 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以74%的产率得到(E)-5-methyl-4-((pyridin-4-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Some Novel S-β-D-Glucosides of 4-Amino-5-alkyl-1,2,4-triazole-3-thiones Derivatives

  摘要：

  A novel series of 3-S-beta-D glucosides-4-arylideneamino-5-alkyl-1,2,4-triazoles were designed and synthesized by reaction of 4-amino-5-alkyl-4H-1,2,4triazole-3-thiol Schiff bases and 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl bromide. The structures of the target compounds have been characterized by H-1 NMR,C-13 NMR, FT-IR, and Microanalyses. All the newly synthesized compounds have been screened for their in vitro antibacterial and antifungal activities against two Gram-positive bacteria [Bacillus cereus (PTCC 1015) and Staphylococcus aureus (ATCC 25923)], two Gram-negative bacteria [Pseudomonas aeruginosa (ATCC 27853) and Escherichia coli (PTCC 1399) and two fungi [Aspergillus niger (PTCC 5012) and Candida albicans (PTCC 5027)].

  DOI：

  10.17344/acsi.2018.4841

文献信息

• Synthesis and Biological Evaluation of Some Novel S-β-D-Glucosides of 4-Amino-5-alkyl-1,2,4-triazole-3-thiones Derivatives
  作者：Anila Rahimi Aghkand、Karim Akbari Dilmaghani、Zahra Dono Ghezelbash、Behvar Asghari

  DOI：10.17344/acsi.2018.4841

  日期：——

  A novel series of 3-S-beta-D glucosides-4-arylideneamino-5-alkyl-1,2,4-triazoles were designed and synthesized by reaction of 4-amino-5-alkyl-4H-1,2,4triazole-3-thiol Schiff bases and 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl bromide. The structures of the target compounds have been characterized by H-1 NMR,C-13 NMR, FT-IR, and Microanalyses. All the newly synthesized compounds have been screened for their in vitro antibacterial and antifungal activities against two Gram-positive bacteria [Bacillus cereus (PTCC 1015) and Staphylococcus aureus (ATCC 25923)], two Gram-negative bacteria [Pseudomonas aeruginosa (ATCC 27853) and Escherichia coli (PTCC 1399) and two fungi [Aspergillus niger (PTCC 5012) and Candida albicans (PTCC 5027)].