N-(4-bromophenyl)-thiophene-2-carboxamidoxime | 945951-66-6

• 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: N-(4-bromophenyl)-thiophene-2-carboxamidoxime
• CAS: 945951-66-6
• 化学式: C₁₁H₉BrN₂OS
• 分子量: 297.175
• InChiKey: BJKBWJKSNJWHTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44.62
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(4-bromophenyl)-thiophene-2-carboxamidoxime 、 硫光气 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 以47%的产率得到4-(4-bromophenyl)-3-(2-thienyl)-1,2,4-oxadiazole-5(4H)-thione
  参考文献：
  名称：

  Thiophene-Substituted 1,2,4-Oxadiazoles and Oxadiazines

  摘要：

  Twenty one new thiophene-substituted 1,2,4-oxadiazo1-5(4H)-ones, 1,2,4-oxadiazol. 5(4H)-thiones, and 1,2,4-oxadiazin-5(6H)-ones were synthesized by the reaction of thiophene-ring substituted amidoximes with ethyl chloroformate, thiophosgene, and chloroacetylchloride, respectively. Their structure elucidation was performed by means of spectral measurements (IR, NMR, and MS) and physical data.

  DOI：

  10.1080/10426500600919124
• 作为产物：
  描述：

  N-hydroxythiophene-2-carbimidoyl chloride 、 4-溴苯胺 生成 N-(4-bromophenyl)-thiophene-2-carboxamidoxime
  参考文献：
  名称：

  Thiophene-Substituted 1,2,4-Oxadiazoles and Oxadiazines

  摘要：

  Twenty one new thiophene-substituted 1,2,4-oxadiazo1-5(4H)-ones, 1,2,4-oxadiazol. 5(4H)-thiones, and 1,2,4-oxadiazin-5(6H)-ones were synthesized by the reaction of thiophene-ring substituted amidoximes with ethyl chloroformate, thiophosgene, and chloroacetylchloride, respectively. Their structure elucidation was performed by means of spectral measurements (IR, NMR, and MS) and physical data.

  DOI：

  10.1080/10426500600919124