2-acetyl-5,6-methylenedioxybenzo[b]thiophene | 119658-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-acetyl-5,6-methylenedioxybenzo[b]thiophene
• 英文别名: 5,6-Methylendioxy-benzothienyl-methyl-keton-(2)；1-(Thieno[2',3':4,5]benzo[1,2-d][1,3]dioxol-6-yl)ethanone；1-thieno[2,3-f][1,3]benzodioxol-6-ylethanone
• CAS: 119658-39-8
• 化学式: C₁₁H₈O₃S
• 分子量: 220.249
• InChiKey: VJIOMPMVDYFNOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-氯-3,4-亚甲基二氧苯甲醛 、 1-巯基-2-丙酮 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 2.0h， 以35%的产率得到2-acetyl-5,6-methylenedioxybenzo[b]thiophene
  参考文献：
  名称：

  Straightforward Synthesis of 2-Acetyl-Substituted Benzo[b]thiophenes

  摘要：

  Described herein is a green one-step protocol for the preparation of substituted 2-acetylbenzo[b]thiophenes from commercially available aromatic halides. This efficient method has the advantage of using water as the reaction medium, resulting in a high yield of pure cyclized products. Two scaffold types have been prepared using this general procedure: 2-acetylbenzo[b]thiophenes and 2-acetyl-3-aminobenzo[b]thiophenes, both crystallized directly from the reaction mixture, due to their low solubility with water, and without the need for an additional purification step.

  DOI：

  10.1055/s-0032-1317674

文献信息

• BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY
  申请人：Burli Roland W.

  公开号：US20090247513A1

  公开（公告）日：2009-10-01

  Benzothiophene compounds such as are DNA binding compounds exhibiting antibacterial activity.
• US7329765B2
  申请人：——

  公开号：US7329765B2

  公开（公告）日：2008-02-12