4-(2-methyl-benzylideneamino)-5-(2-methylphenyl)-2H-1,2,4-triazole-3(4H)-thione | 487037-67-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(2-methyl-benzylideneamino)-5-(2-methylphenyl)-2H-1,2,4-triazole-3(4H)-thione
• 英文别名: 3-(2-methylphenyl)-4-[(2-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
• CAS: 487037-67-2
• 化学式: C₁₇H₁₆N₄S
• 分子量: 308.407
• InChiKey: LRBNCXDYZFFBTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 iron(III) chloride 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以82%的产率得到2-(2-methylbenzylidene)-1-(5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl)hydrazine
  参考文献：
  名称：

  Anodic formation of 3,6-diaryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and 2(3-aryl-5-methyl-1H-[1,2,4]triazol-1-yl)-5-aryl-1,3,4-thiadiazoles

  摘要：

  3,6-Disubstituted 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles together with the unknown systems 2-(3-aryl-5-methyl-1H-[1,2,4]triazol-1-yl)-5-aryl-1,3,4-thiadiazoles were obtained by anodic oxidation, under aprotic conditions, of aryl aldehyde N-(5-aryl-1,3,4-thiadiazol-2-yl) hydrazones. Mechanistic proposals are given. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.02.084

文献信息

• Anodic formation of 3,6-diaryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and 2(3-aryl-5-methyl-1H-[1,2,4]triazol-1-yl)-5-aryl-1,3,4-thiadiazoles
  作者：Belen Batanero、Rebeca Saez、Fructuoso Barba

  DOI：10.1016/j.tet.2011.02.084

  日期：2011.4

  3,6-Disubstituted 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles together with the unknown systems 2-(3-aryl-5-methyl-1H-[1,2,4]triazol-1-yl)-5-aryl-1,3,4-thiadiazoles were obtained by anodic oxidation, under aprotic conditions, of aryl aldehyde N-(5-aryl-1,3,4-thiadiazol-2-yl) hydrazones. Mechanistic proposals are given. (C) 2011 Elsevier Ltd. All rights reserved.