5-(4-methylpiperazino)-1,2,3-thiadiazole-4-carbaldehyde | 845964-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 5-(4-methylpiperazino)-1,2,3-thiadiazole-4-carbaldehyde
• 英文别名: 5-(4-methylpiperazin-1-yl)thiadiazole-4-carbaldehyde
• CAS: 845964-80-9
• 化学式: C₈H₁₂N₄OS
• 分子量: 212.275
• InChiKey: SLIYWCCYJDGEIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  77.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-甲基苯胺 、 5-(4-methylpiperazino)-1,2,3-thiadiazole-4-carbaldehyde 以 乙醇 为溶剂， 反应 1.0h， 以95%的产率得到(4-Methyl-piperazin-1-yl)-(1-m-tolyl-1H-[1,2,3]triazol-4-yl)-methanethione
  参考文献：
  名称：

  Reactions of 5-dialkylamino-1,2,3-thiadiazole-4-carbaldehydes with amines as a method for the synthesis of 1,2,3-triazole-4-carbothioamides

  摘要：

  A method for the synthesis of previously inaccessible 5-dialkylamino-substituted 1,2,3-thiadiazole-4-carbaldehydes was developed. Ring transformation in these compounds induced by primary aliphatic and aromatic amines, hydroxylamines, and N-substituted hydrazines resulted in the synthesis of a broad range of 1,2,3-triazole-4-carbothioamide.

  DOI：

  10.1023/b:rucb.0000042292.19119.3d
• 作为产物：
  描述：

  Ethyl 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylate 在 manganese(IV) oxide 、 sodium tetrahydroborate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 5-(4-methylpiperazino)-1,2,3-thiadiazole-4-carbaldehyde
  参考文献：
  名称：

  Reactions of 5-dialkylamino-1,2,3-thiadiazole-4-carbaldehydes with amines as a method for the synthesis of 1,2,3-triazole-4-carbothioamides

  摘要：

  A method for the synthesis of previously inaccessible 5-dialkylamino-substituted 1,2,3-thiadiazole-4-carbaldehydes was developed. Ring transformation in these compounds induced by primary aliphatic and aromatic amines, hydroxylamines, and N-substituted hydrazines resulted in the synthesis of a broad range of 1,2,3-triazole-4-carbothioamide.

  DOI：

  10.1023/b:rucb.0000042292.19119.3d