2-Methyl-5-[(6-phenyl-1,2,4-triazin-3-yl)methylsulfanyl]-1,3,4-thiadiazole

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-Methyl-5-[(6-phenyl-1,2,4-triazin-3-yl)methylsulfanyl]-1,3,4-thiadiazole
• 化学式: C₁₃H₁₁N₅S₂
• 分子量: 301.396
• InChiKey: HIBNWJBHLJQHLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴苯乙酮 、 5-methyl-1,3,4-thiadiazol-2-ylthioacetic acid hydrazide 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.1h， 以84%的产率得到2-Methyl-5-[(6-phenyl-1,2,4-triazin-3-yl)methylsulfanyl]-1,3,4-thiadiazole
  参考文献：
  名称：

  Microwave-Assisted Synthesis of Novel 1,3,4-Thiadiazolyl-Substituted 1,2,4-Triazines as Potential Antitubercular Agents

  摘要：

  A series of triazines have been synthesized starting from 5-alkyl-1,3,4-thiadiazole-2-thioles (1a-d). On reaction with ethyl bromoacetate in the presence of anhydrous K2CO3 under microwave irradiation (MWI), these yielded corresponding esters (2a-d) which on hydrazinolysis under MWI produced (5-alkyl-1,3,4-thiadiazol-2-yl sulfanyl) acetohydrazides (3a-d). The reaction of 3a-d with omega-bromoacetophenone under MWI yielded 6-aryl-3-[(5-alkyl-1,3,4-thiadiazo1-2-yl sulfanyl)methyl]-1,2,4-triazines (4a-h). All the synthesized triazines showed bl vitro antitubercular activity, (C) 1998 Academic Press.

  DOI：

  10.1006/bioo.1998.1108

文献信息

• Microwave-Assisted Synthesis of Novel 1,3,4-Thiadiazolyl-Substituted 1,2,4-Triazines as Potential Antitubercular Agents
  作者：Mazaahir Kidwai、Rajesh Kumar、Anil Srivastava、H.P. Gupta

  DOI：10.1006/bioo.1998.1108

  日期：1998.11

  A series of triazines have been synthesized starting from 5-alkyl-1,3,4-thiadiazole-2-thioles (1a-d). On reaction with ethyl bromoacetate in the presence of anhydrous K2CO3 under microwave irradiation (MWI), these yielded corresponding esters (2a-d) which on hydrazinolysis under MWI produced (5-alkyl-1,3,4-thiadiazol-2-yl sulfanyl) acetohydrazides (3a-d). The reaction of 3a-d with omega-bromoacetophenone under MWI yielded 6-aryl-3-[(5-alkyl-1,3,4-thiadiazo1-2-yl sulfanyl)methyl]-1,2,4-triazines (4a-h). All the synthesized triazines showed bl vitro antitubercular activity, (C) 1998 Academic Press.