β-(2-Benzothiophen)-vinylisocyanat | 29079-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: β-(2-Benzothiophen)-vinylisocyanat
• 英文别名: Benzo[b]thiophene, 3-(2-isocyanatoethenyl)-；3-(2-isocyanatoethenyl)-1-benzothiophene
• CAS: 29079-99-0
• 化学式: C₁₁H₇NOS
• 分子量: 201.249
• InChiKey: NQXYYQZCIKIYQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  β-(2-Benzothiophen)-vinylisocyanat 以 邻二氯苯 为溶剂， 反应 1.0h， 生成 benzo[4,5]thieno[2,3-c]pyridine-1(2H)-one
  参考文献：
  名称：

  通过 Curtius 重排和微波辅助热电环化从杂芳基丙烯酸中一锅法合成稠合 2-吡啶酮

  摘要：

  We investigated the one-pot synthesis of several fused 2-pyridone ring systems based on a Curtius rearrangement, followed by a microwave-assisted thermal electrocyclization of a 2-aza-6 pi-electron system including isocyanate. We synthesized seven heterocyclic compounds containing a fused 2-pyridone ring. In these results, the one-pot synthesis of fused 2-pyridone ring system 5 from (E)-acrylic acids 1 under microwave irradiation conditions was more effective than the conventional reaction conditions in terms of the yield and the reaction time.

  DOI：

  10.3987/com-16-s(s)13
• 作为产物：
  描述：

  (2E)-3-(1-苯并噻吩-3-基)丙烯酸 在 二苯基膦叠氮化物 、 三乙胺 作用下， 以 邻二氯苯 为溶剂， 反应 0.25h， 生成 β-(2-Benzothiophen)-vinylisocyanat
  参考文献：
  名称：

  通过 Curtius 重排和微波辅助热电环化从杂芳基丙烯酸中一锅法合成稠合 2-吡啶酮

  摘要：

  We investigated the one-pot synthesis of several fused 2-pyridone ring systems based on a Curtius rearrangement, followed by a microwave-assisted thermal electrocyclization of a 2-aza-6 pi-electron system including isocyanate. We synthesized seven heterocyclic compounds containing a fused 2-pyridone ring. In these results, the one-pot synthesis of fused 2-pyridone ring system 5 from (E)-acrylic acids 1 under microwave irradiation conditions was more effective than the conventional reaction conditions in terms of the yield and the reaction time.

  DOI：

  10.3987/com-16-s(s)13