ethyl (E)-3-[2-(2,2,3,3,4,4,4-heptafluorobutanamido)phenyl]acrylate | 1097834-52-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: ethyl (E)-3-[2-(2,2,3,3,4,4,4-heptafluorobutanamido)phenyl]acrylate
• CAS: 1097834-52-0
• 化学式: C₁₅H₁₂F₇NO₃
• 分子量: 387.254
• InChiKey: MTPWBZPLNMFUGP-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl (E)-3-[2-(2,2,3,3,4,4,4-heptafluorobutanamido)phenyl]acrylate 在 劳森试剂 作用下， 反应 72.0h， 生成 ethyl 2-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-4H-3,1-benzothiazin-4-yl]acetate 、 O-ethyl 2-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-4H-3,1-benzothiazin-4-yl]ethanethioate
  参考文献：
  名称：

  A Straightforward Synthesis of Benzothiazines

  摘要：

  A series of 4H-3,1-benzothiazines have been successfully synthesized through a three-step sequence starting from commercially available 2-iodoaniline. The key step consists of the cyclization of compounds 6 via an intramolecular S-conjugate addition. The synthesis is straightforward, gives good yields and offers a broad range of possibilities since R can be many alkyl or aryl groups and Z a suitable electron-withdrawing functionalization.

  DOI：

  10.1021/ol802346r
• 作为产物：
  描述：

  2,2,3,3,4,4,4-heptafluoro-N-(2-iodophenyl)butanamide 、 丙烯酸乙酯 在 三正丁胺 、 palladium diacetate 作用下， 以 四氢呋喃 为溶剂， 反应 19.0h， 以87%的产率得到ethyl (E)-3-[2-(2,2,3,3,4,4,4-heptafluorobutanamido)phenyl]acrylate
  参考文献：
  名称：

  A Straightforward Synthesis of Benzothiazines

  摘要：

  A series of 4H-3,1-benzothiazines have been successfully synthesized through a three-step sequence starting from commercially available 2-iodoaniline. The key step consists of the cyclization of compounds 6 via an intramolecular S-conjugate addition. The synthesis is straightforward, gives good yields and offers a broad range of possibilities since R can be many alkyl or aryl groups and Z a suitable electron-withdrawing functionalization.

  DOI：

  10.1021/ol802346r