3,6-bis(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 573930-96-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,6-bis(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• CAS: 573930-96-8
• 化学式: C₁₇H₁₄N₄S
• 分子量: 306.391
• InChiKey: RGCJGUAVFCWJRN-UHFFFAOYSA-N

物化性质

• 熔点：
  116-118 °C
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对甲苯甲酸 、 硫代卡巴肼 在 silica-supported dichlorophosphate 作用下， 以 乙醇 为溶剂， 反应 0.13h， 以83%的产率得到3,6-bis(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  参考文献：
  名称：

  Silica-Supported Dichlorophosphate as a Recoverable Cyclodehydrant: Expeditious Synthesis of [1,2,4]Triazolo[3,4-b][1,3,4]thiadiazoles Under Microwave Irradiation

  摘要：

  An expeditious novel approach to 3,6-disubstituted [1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles using silica-supported dichlorophosphate as a recoverable cyclodehydrant, carboxylic acids and thiocarbohydrazide as starting materials, and microwave irradiation as thermal source was described. The protocol has advantages of concise synthetic step, short time, good yield, easy workup procedure, and no environmental pollution.

  DOI：

  10.1080/00397910902838912

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.
• Silica-Supported Dichlorophosphate as a Recoverable Cyclodehydrant: Expeditious Synthesis of [1,2,4]Triazolo[3,4-<i>b</i>][1,3,4]thiadiazoles Under Microwave Irradiation
  作者：Zheng Li、Yanlong Zhao

  DOI：10.1080/00397910902838912

  日期：2009.10.12

  An expeditious novel approach to 3,6-disubstituted [1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles using silica-supported dichlorophosphate as a recoverable cyclodehydrant, carboxylic acids and thiocarbohydrazide as starting materials, and microwave irradiation as thermal source was described. The protocol has advantages of concise synthetic step, short time, good yield, easy workup procedure, and no environmental pollution.