3-Bromo-1-oxo-2-phenylthiochromen-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 3-Bromo-1-oxo-2-phenylthiochromen-4-one
• 化学式: C₁₅H₉BrO₂S
• 分子量: 333.205
• InChiKey: PRRUTZLYWDIZDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-bromo-2-phenyl-thiochroman-4-one 在 氢氧化钾 、 碘苯二乙酸 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以20%的产率得到2-benzoylbenzothiophen-3(2H)-one
  参考文献：
  名称：

  Transformation Of 1-Thioflavonoids By Oxidation And Dehydrogenation

  摘要：

  Simple, efficient and selective new one-step transformations with DDQ, IBDA and I-2/DMSO are presented for the dehydrogenation of thioflavanoine (1a), as well as the oxidized (1c) and halogenated (1d) derivatives. Ring-contraction reactions of the 1-oxide 1b and 1d leading to the formation of the benzothiophen derivatives 3a and 5 respectively, are also described.

  DOI：

  10.1080/00397919908086175

文献信息

• Transformation Of 1-Thioflavonoids By Oxidation And Dehydrogenation
  作者：L. Somogyi

  DOI：10.1080/00397919908086175

  日期：1999.6

  Simple, efficient and selective new one-step transformations with DDQ, IBDA and I-2/DMSO are presented for the dehydrogenation of thioflavanoine (1a), as well as the oxidized (1c) and halogenated (1d) derivatives. Ring-contraction reactions of the 1-oxide 1b and 1d leading to the formation of the benzothiophen derivatives 3a and 5 respectively, are also described.