3-methyl-1-(3-p-tolyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butylamine

• 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-methyl-1-(3-p-tolyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butylamine
• 英文别名: 3-Methyl-1-[3-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine；3-methyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
• 化学式: C₁₅H₁₉N₅S
• 分子量: 301.415
• InChiKey: BFLVOQWLILVJJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  97.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(1,3-二氧代-1,3-二氢-2H-异吲哚-2-基)-4-甲基戊酸 在 盐酸 、 三氯氧磷 作用下， 反应 6.0h， 生成 3-methyl-1-(3-p-tolyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butylamine
  参考文献：
  名称：

  SYNTHESIS OF SOME NEW 4-AMINO-1,2,4-TRIAZOLE DERIVATIVES AS POTENTIAL ANTI-HIV AND ANTI-HBV

  摘要：

  Some novel [1,2,4] triazolo[3,4-b][1,3,4] thiadiazolylisoindole-1,3-dione 2a-c were prepared by heating 4-amino-5-aryl-1,2,4-triazole-3-thiones 1a-c with different (1,3-dioxo-1,3-diliydro-isoitidol-2-yl) carboxylic acids in. POCl3. Compounds 2a,b were hydrolyzed using HCl, to yield [1,2,4]triazolo[3,4-b][1,3,4]thiadiazolyl-alkylamines 3a,b. Coupling 1a,c with 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyraizosyl bromide (ABG) afforded the corresponding S-glucosides 4a,6, which oil oxidation. with. KMnO4 gave the corresponding sulfone 5. Treatment 1b,c with diphenyl diazonzethane afforded benzhydrylsulfanyltriazolylamines 7a,b. 1,8-Bis-(4-chloro-phenyl)-bis-[1,2,4]triazolo[3,4-c-,4',3'-e][1,2,4,5]dithiadiazine 8 was formed by oxidation of 1b with lead tetracetate. Compound 1c reacted with. morpholine in the presence of KI and I-2 to give the triazolodisulfide 9.

  DOI：

  10.1080/10426500490463989