4-(5-mercapto-3-(4'-pyridyl)-4H-1,2,4-triazol-4-yl)thiosemicarbazide | 1423159-81-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(5-mercapto-3-(4'-pyridyl)-4H-1,2,4-triazol-4-yl)thiosemicarbazide
• CAS: 1423159-81-2
• 化学式: C₈H₉N₇S₂
• 分子量: 267.338
• InChiKey: DPKCPEGVIPMILD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.08
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.68
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-(5-mercapto-3-(4'-pyridyl)-4H-1,2,4-triazol-4-yl)thiosemicarbazide 、 苯甲醛 在 montmorillonite K₁₀ clay 作用下， 反应 0.72h， 以90%的产率得到2-benzylidene-N-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]hydrazine carbothioamide
  参考文献：
  名称：

  Synthesis, anti-inflammatory activity, and QSAR study of some Schiff bases derived from 5-mercapto-3-(4′-pyridyl)-4H-1,2,4-triazol-4-yl-thiosemicarbazide

  摘要：

  The purpose of this research is to synthesize better anti-inflammatory compounds derived from 5-mercapto-3-(4'-pyridyl)-4H-1,2,4-triazol-4-yl-thiosemicarbazide (5). 2-Substituted-N-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]hydrazine carbothioamide derivatives (6a-j)/(7a-e) are synthesized by the condensation of 5 with variously substituted aromatic aldehydes/1H-indole-2,3-diones, respectively, under conventional and microwave irradiation methods. The microwave method is found to be superior with higher chemical yields, tremendous reduction in time, and is environmentally benign as compared to conventional heating method. The chemical structures of the newly synthesized compounds (6/7) have been confirmed by IR, H-1 NMR, and C-13 NMR spectra and have been evaluated for anti-inflammatory activity by carrageenan-induced acute paw edema method in rats.

  DOI：

  10.1007/s00044-013-0507-6
• 作为产物：
  描述：

  4-氨基-5-吡啶-4H-三唑硫醇 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以45%的产率得到4-(5-mercapto-3-(4'-pyridyl)-4H-1,2,4-triazol-4-yl)thiosemicarbazide
  参考文献：
  名称：

  Synthesis, anti-inflammatory activity, and QSAR study of some Schiff bases derived from 5-mercapto-3-(4′-pyridyl)-4H-1,2,4-triazol-4-yl-thiosemicarbazide

  摘要：

  The purpose of this research is to synthesize better anti-inflammatory compounds derived from 5-mercapto-3-(4'-pyridyl)-4H-1,2,4-triazol-4-yl-thiosemicarbazide (5). 2-Substituted-N-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]hydrazine carbothioamide derivatives (6a-j)/(7a-e) are synthesized by the condensation of 5 with variously substituted aromatic aldehydes/1H-indole-2,3-diones, respectively, under conventional and microwave irradiation methods. The microwave method is found to be superior with higher chemical yields, tremendous reduction in time, and is environmentally benign as compared to conventional heating method. The chemical structures of the newly synthesized compounds (6/7) have been confirmed by IR, H-1 NMR, and C-13 NMR spectra and have been evaluated for anti-inflammatory activity by carrageenan-induced acute paw edema method in rats.

  DOI：

  10.1007/s00044-013-0507-6

文献信息

• Spectrophotometric Determination of Loratadine drug by New 6-hydrazineyl-3-(pyridiin-4-yl)-[1,2,4] triazolo[3, 4-b][1, 3 ,4]thiadiiazole A1 derived from isonicotinic acid in pure and pharmaceuticals formulation
  作者：Asmaa Ahmed Mohammed、shaimaa abdullah、Ghazwan Abdulwahhab

  DOI：10.21608/ejchem.2022.122082.5467

  日期：2022.7.24