3-(3,4-Dimethoxy-phenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine | 826990-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3,4-Dimethoxy-phenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
• 英文别名: 1,2,4-Triazolo[4,3-a]pyrimidine, 3-(3,4-dimethoxyphenyl)-5,7-dimethyl-；3-(3,4-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
• CAS: 826990-72-1
• 化学式: C₁₅H₁₆N₄O₂
• 分子量: 284.318
• InChiKey: PNDUHOFGHLQDPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  61.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-肼基-4,6-二甲基嘧啶 在 溶剂黄146 碘苯二乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 0.08h， 生成 3-(3,4-Dimethoxy-phenyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
  参考文献：
  名称：

  Organoiodine (III) mediated synthesis of 3-aryl/hetryl-5,7-dimethyl-1,2,4-triazolo[4,3-a]pyrimidines as antibacterial agents

  摘要：

  Synthesis of some new 3-aryl/hetryl-5.7-dimethyl-1,2,4-triazolo[4.3-a]pyrimidines (3a-k) has been accomplished by the oxidation of 4,6-dimethyl-2-pyrimidinylhydrazones of various aldehydes with iodobenzene diacetate in dichloromethane. Nine new compounds (3b-g and 3i-k) were tested in vitro for their antibacterial activity. Two compounds. namely 3-(4'-pyridyl)-5,7-dinethyl-1,2,4-triazolo[4,3-a] pyrimidine (3k) and 3-(3'.4'-dimethoxvphenyl)-5,7-dimethyl-1,2,4-triazolo[4,3-a]pyrimidine (3f), were associated with substantially higher antibacterial activity than some commercial antibiotics against Bacillus subtilis, Escherichia coli, Staphlococcus aureus and Salmonella typhi at MIC (minimum inhibitory concentration) i.e. 10 mug/ml. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.06.011

文献信息

• Organoiodine (III) mediated synthesis of 3-aryl/hetryl-5,7-dimethyl-1,2,4-triazolo[4,3-a]pyrimidines as antibacterial agents
  作者：Om Prakash、Vikas Bhardwaj、Ravi Kumar、Parikshit Tyagi、Kamal R. Aneja

  DOI：10.1016/j.ejmech.2004.06.011

  日期：2004.12

  Synthesis of some new 3-aryl/hetryl-5.7-dimethyl-1,2,4-triazolo[4.3-a]pyrimidines (3a-k) has been accomplished by the oxidation of 4,6-dimethyl-2-pyrimidinylhydrazones of various aldehydes with iodobenzene diacetate in dichloromethane. Nine new compounds (3b-g and 3i-k) were tested in vitro for their antibacterial activity. Two compounds. namely 3-(4'-pyridyl)-5,7-dinethyl-1,2,4-triazolo[4,3-a] pyrimidine (3k) and 3-(3'.4'-dimethoxvphenyl)-5,7-dimethyl-1,2,4-triazolo[4,3-a]pyrimidine (3f), were associated with substantially higher antibacterial activity than some commercial antibiotics against Bacillus subtilis, Escherichia coli, Staphlococcus aureus and Salmonella typhi at MIC (minimum inhibitory concentration) i.e. 10 mug/ml. (C) 2004 Elsevier SAS. All rights reserved.