4-amino-3-[(3-methoxyphenoxy)methyl]-4H-1,2,4-triazole-5-thiol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-amino-3-[(3-methoxyphenoxy)methyl]-4H-1,2,4-triazole-5-thiol
• 英文别名: 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol；4-amino-3-[(3-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione
• 化学式: C₁₀H₁₂N₄O₂S
• mdl: MFCD06655617
• 分子量: 252.297
• InChiKey: GYBZLEZGUXJYJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-amino-3-[(3-methoxyphenoxy)methyl]-4H-1,2,4-triazole-5-thiol 、 氯乙酸 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 以61.4%的产率得到4-amino-3-[(3-methoxyphenoxy)methyl]-4H-1,2,4-triazol-5-ylsulfanylacetic acid
  参考文献：
  名称：

  New derivatives of 1,3,4-thiadiazole based on hydrazide of 3-methoxyphenoxyacetic acid

  摘要：

  2-Substituted 1,3,4-thiadiazole-5-thiol has been synthesized basing on hydrazide of 3-methoxyphenoxyacetic acid. Methods of SH-alkylation, aminomethylation, and cyanoethylation of the product have been elaborated. Reactions of the starting hydrazide leading to 4-amino-3,5-substituted 4H-1,2,4-triazoles and acyl hydrazides of dicarboxylic acids containing pharmacophore groups in the molecule have been studied.

  DOI：

  10.1134/s1070363216080119
• 作为产物：
  描述：

  2-(3-甲氧基苯氧基)乙酰肼 在 一水合肼 、 potassium hydroxide 作用下， 生成 4-amino-3-[(3-methoxyphenoxy)methyl]-4H-1,2,4-triazole-5-thiol
  参考文献：
  名称：

  New derivatives of 1,3,4-thiadiazole based on hydrazide of 3-methoxyphenoxyacetic acid

  摘要：

  2-Substituted 1,3,4-thiadiazole-5-thiol has been synthesized basing on hydrazide of 3-methoxyphenoxyacetic acid. Methods of SH-alkylation, aminomethylation, and cyanoethylation of the product have been elaborated. Reactions of the starting hydrazide leading to 4-amino-3,5-substituted 4H-1,2,4-triazoles and acyl hydrazides of dicarboxylic acids containing pharmacophore groups in the molecule have been studied.

  DOI：

  10.1134/s1070363216080119

文献信息

• New derivatives of 1,3,4-thiadiazole based on hydrazide of 3-methoxyphenoxyacetic acid
  作者：T. R. Hovsepyan、M. R. Hakobyan、N. S. Minasyan、R. G. Melik-Ohanjanyan

  DOI：10.1134/s1070363216080119

  日期：2016.8

  2-Substituted 1,3,4-thiadiazole-5-thiol has been synthesized basing on hydrazide of 3-methoxyphenoxyacetic acid. Methods of SH-alkylation, aminomethylation, and cyanoethylation of the product have been elaborated. Reactions of the starting hydrazide leading to 4-amino-3,5-substituted 4H-1,2,4-triazoles and acyl hydrazides of dicarboxylic acids containing pharmacophore groups in the molecule have been studied.