ethyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• 英文别名: ethyl 7-(2,3-dimethoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• 化学式: C₁₇H₂₀N₄O₄
• 分子量: 344.37
• InChiKey: TXULAFQHSPBITH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  87.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 2,3-二甲氧基苯甲醛 、 3-氨基-1,2,4-三氮唑 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以43%的产率得到ethyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
  参考文献：
  名称：

  4-(Het)aryl-4,7-dihydroazolopyrimidines and Their Tuberculostatic Activity

  摘要：

  Structural analogs of a promising antituberculous agent, ethyl 5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate have been synthesized by three-component condensations of various aromatic or hetaromatic aldehydes with several beta-dicarbonyl compounds (CH acids) and 1H-1,2,4-triazol-5-amine or 1H-pyrazol-5-amine. The obtained compounds have been evaluated for tuberculostatic activity, and structure-activity relations have been analyzed.

  DOI：

  10.1134/s107042801906006x

文献信息

• 4-(Het)aryl-4,7-dihydroazolopyrimidines and Their Tuberculostatic Activity
  作者：Yu. A. Titova、E. S. Filatova、O. V. Fedorova、G. L. Rusinov、V. N. Charushin

  DOI：10.1134/s107042801906006x

  日期：2019.6

  Structural analogs of a promising antituberculous agent, ethyl 5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate have been synthesized by three-component condensations of various aromatic or hetaromatic aldehydes with several beta-dicarbonyl compounds (CH acids) and 1H-1,2,4-triazol-5-amine or 1H-pyrazol-5-amine. The obtained compounds have been evaluated for tuberculostatic activity, and structure-activity relations have been analyzed.