Ethyl 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylate | 674810-87-8

• 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: Ethyl 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylate
• CAS: 674810-87-8
• 化学式: C₁₀H₁₆N₄O₂S
• 分子量: 256.329
• InChiKey: QXIQRYLWEUBMLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  86.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  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 4.0h， 生成 (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：

  N-甲基哌嗪 、 5-氯-1,2,3-噻二唑-4-羧酸乙酯 以 乙醇 为溶剂， 反应 0.5h， 以67%的产率得到Ethyl 5-(4-methylpiperazin-1-yl)thiadiazole-4-carboxylate
  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

文献信息

• 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
  作者：T. V. Glukhareva、Yu. Yu. Morzherin、L. V. Dyudya、K. V. Malysheva、A. V. Tkachev、A. Padva、V. A. Bakulev

  DOI：10.1023/b:rucb.0000042292.19119.3d

  日期：2004.6

  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.