3-bromo-N-[4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-phenyl]benzamide | 723746-86-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-bromo-N-[4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-phenyl]benzamide
• 英文别名: 3-bromo-N-[4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide；3-bromo-N-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzamide
• CAS: 723746-86-9
• 化学式: C₁₅H₁₀BrN₃O₂S
• 分子量: 376.233
• InChiKey: MCOMCTUTOLZVFO-UHFFFAOYSA-N

物化性质

• 密度：
  1.65±0.1 g/cm3(Predicted)
• 溶解度：
  54.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-溴甲基-1,4-苯并二噁烷 、 3-bromo-N-[4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-phenyl]benzamide 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以63%的产率得到N-(4-{5-[(1,4-benzodioxan-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl}phenyl)-3-bromobenzamide
  参考文献：
  名称：

  Synthesis of new biheterocycles containing a 1,4-benzodioxane fragment

  摘要：

  The reaction of 1,4-benzodioxane-2-carbonyl chloride with 5-(4-aminophenyl)-1,3,4-oxa- and -thiadiazole-2-thiols afforded new biheterocyclic compounds which were converted into the corresponding S-benzyl derivatives by treatment with benzyl chloride. 5-(4-Aroylaminophenyl)-1,3,4-oxa(thia)diazole-2-thiols reacted with 2-bromomethyl-1,4-benzodioxane to give compounds in which the 1,4-benzodioxane nucleus and fivemembered heterocycle are linked through a CH2S bridge.

  DOI：

  10.1134/s1070428014030233
• 作为产物：
  描述：

  5-(4-氨基苯基)-1,3,4-二唑-2(3H)-硫酮 、 3-溴苯甲酰氯 在 吡啶 作用下， 以 苯 为溶剂， 以53%的产率得到3-bromo-N-[4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-phenyl]benzamide
  参考文献：
  名称：

  Synthesis of new biheterocycles containing a 1,4-benzodioxane fragment

  摘要：

  The reaction of 1,4-benzodioxane-2-carbonyl chloride with 5-(4-aminophenyl)-1,3,4-oxa- and -thiadiazole-2-thiols afforded new biheterocyclic compounds which were converted into the corresponding S-benzyl derivatives by treatment with benzyl chloride. 5-(4-Aroylaminophenyl)-1,3,4-oxa(thia)diazole-2-thiols reacted with 2-bromomethyl-1,4-benzodioxane to give compounds in which the 1,4-benzodioxane nucleus and fivemembered heterocycle are linked through a CH2S bridge.

  DOI：

  10.1134/s1070428014030233

文献信息

• Synthesis of new biheterocycles containing a 1,4-benzodioxane fragment
  作者：A. S. Avakyan、S. O. Vartanyan、A. B. Sargsyan、E. A. Markaryan

  DOI：10.1134/s1070428014030233

  日期：2014.3

  The reaction of 1,4-benzodioxane-2-carbonyl chloride with 5-(4-aminophenyl)-1,3,4-oxa- and -thiadiazole-2-thiols afforded new biheterocyclic compounds which were converted into the corresponding S-benzyl derivatives by treatment with benzyl chloride. 5-(4-Aroylaminophenyl)-1,3,4-oxa(thia)diazole-2-thiols reacted with 2-bromomethyl-1,4-benzodioxane to give compounds in which the 1,4-benzodioxane nucleus and fivemembered heterocycle are linked through a CH2S bridge.