1-(1-iodomethyl-1-methylisoindolin-2-yl)ethanone | 949593-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-(1-iodomethyl-1-methylisoindolin-2-yl)ethanone
• CAS: 949593-99-1
• 化学式: C₁₂H₁₄INO
• 分子量: 315.154
• InChiKey: NAQZQONFLVAUMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-(1-iodomethyl-1-methylisoindolin-2-yl)ethanone 在 三正丁基氢锡 作用下， 以 苯 为溶剂， 以76%的产率得到1-(1,1-dimethylisoindolin-2-yl)ethanone
  参考文献：
  名称：

  A Facile Synthesis of 1,1-Disubstituted Isoindoline Derivatives by Intramolecular Iodoamination of 2-Vinylbenzylamine Derivatives

  摘要：

  The intramolecular iodoamination of N-(2-vinylbenzyl)acetamide derivatives, derived from cc-substituted 2-vinylbenzonitriles in two steps, afforded the corresponcling 2-acetyl-1-iodomethylisoindoline derivatives, which were transformed into the 1-methyl or 1-Sulfenylmethyl derivatives by tributyltin hydride reduction or substitution by sodium thiolates, respectively, in reasonable yields.

  DOI：

  10.3987/com-07-11072
• 作为产物：
  描述：

  N-[2-(1-methylvinyl)phenylmethyl]acetamide 在 碘 、 碳酸氢钠 作用下， 以 乙腈 为溶剂， 以75%的产率得到1-(1-iodomethyl-1-methylisoindolin-2-yl)ethanone
  参考文献：
  名称：

  A Facile Synthesis of 1,1-Disubstituted Isoindoline Derivatives by Intramolecular Iodoamination of 2-Vinylbenzylamine Derivatives

  摘要：

  The intramolecular iodoamination of N-(2-vinylbenzyl)acetamide derivatives, derived from cc-substituted 2-vinylbenzonitriles in two steps, afforded the corresponcling 2-acetyl-1-iodomethylisoindoline derivatives, which were transformed into the 1-methyl or 1-Sulfenylmethyl derivatives by tributyltin hydride reduction or substitution by sodium thiolates, respectively, in reasonable yields.

  DOI：

  10.3987/com-07-11072