6-butanoylbenzo[b]thiophene-4,5-dione | 912952-42-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-butanoylbenzo[b]thiophene-4,5-dione
• 英文别名: 6-Butanoyl-1-benzothiophene-4,5-dione；6-butanoyl-1-benzothiophene-4,5-dione
• CAS: 912952-42-2
• 化学式: C₁₂H₁₀O₃S
• 分子量: 234.276
• InChiKey: NOMQXSLUKAOCFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-butanoylbenzo[b]thiophene-4,5-dione 、 巯基乙酸乙酯 以81%的产率得到ethyl 4,5-dioxo-3-propyl-4,5-dihydrobenzo[2,1-b:3,4-b']dithiophene-2-carboxylate
  参考文献：
  名称：

  Synthesis of Benzo[2,1-b:3,4-b’]dithiophene-4,5-dione Derivatives

  摘要：

  The 1-trimethylsilylimidazole-mediated thiophene ring formation from 6-acylbenzo[b]thiophene-4,5-diones (3), which. were prepared utilizing photoacylation of benzo[b]thiophene-4,5-dione (1) with aliphatic aldehydes, and ethyl mercaptoacetate, followed by acid hydrolysis and oxidation with cerium(IV) ammonium nitrate (CAN), led to one-pot formation of the 3-substituted ethyl 4,5dioxo-4,5-dihydrobenzo[2,1-b:3,4-b ']dithiophene-2-carboxylates (4) in satisfactory yields.

  DOI：

  10.3987/com-06-10779
• 作为产物：
  描述：

  4,5-二甲氧基-1-苯并噻吩 在 三溴化硼 、 sodium sulfate 、 silver(l) oxide 作用下， 以 乙醚 、 二氯甲烷 、 苯 为溶剂， 反应 10.25h， 生成 6-butanoylbenzo[b]thiophene-4,5-dione
  参考文献：
  名称：

  Synthesis of Benzo[2,1-b:3,4-b’]dithiophene-4,5-dione Derivatives

  摘要：

  The 1-trimethylsilylimidazole-mediated thiophene ring formation from 6-acylbenzo[b]thiophene-4,5-diones (3), which. were prepared utilizing photoacylation of benzo[b]thiophene-4,5-dione (1) with aliphatic aldehydes, and ethyl mercaptoacetate, followed by acid hydrolysis and oxidation with cerium(IV) ammonium nitrate (CAN), led to one-pot formation of the 3-substituted ethyl 4,5dioxo-4,5-dihydrobenzo[2,1-b:3,4-b ']dithiophene-2-carboxylates (4) in satisfactory yields.

  DOI：

  10.3987/com-06-10779

文献信息

• Synthesis of Benzo[2,1-b:3,4-b’]dithiophene-4,5-dione Derivatives
  作者：Kazuhiro Kobayashi、Toshikazu Ogata、Daizo Nakamura、Osamu Morikawa、Hisatoshi Konishi

  DOI：10.3987/com-06-10779

  日期：——

  The 1-trimethylsilylimidazole-mediated thiophene ring formation from 6-acylbenzo[b]thiophene-4,5-diones (3), which. were prepared utilizing photoacylation of benzo[b]thiophene-4,5-dione (1) with aliphatic aldehydes, and ethyl mercaptoacetate, followed by acid hydrolysis and oxidation with cerium(IV) ammonium nitrate (CAN), led to one-pot formation of the 3-substituted ethyl 4,5dioxo-4,5-dihydrobenzo[2,1-b:3,4-b ']dithiophene-2-carboxylates (4) in satisfactory yields.