2-(2-dimethylaminoethyl)-5,5-dimethyl-2,5-dihydro-4H-isoindol-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(2-dimethylaminoethyl)-5,5-dimethyl-2,5-dihydro-4H-isoindol-4-one
• 英文别名: 2-[2-(Dimethylamino)ethyl]-5,5-dimethylisoindol-4-one；2-[2-(dimethylamino)ethyl]-5,5-dimethylisoindol-4-one
• 化学式: C₁₄H₂₀N₂O
• 分子量: 232.326
• InChiKey: KMRBIDGQCUABRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  25.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5,5-dimethyl-2,5-dihydro-4H-isoindol-4-one 、 2-氯-N,N-二甲基乙胺 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以68%的产率得到2-(2-dimethylaminoethyl)-5,5-dimethyl-2,5-dihydro-4H-isoindol-4-one
  参考文献：
  名称：

  N-Substituted 5,5-Dimethyl-2,5-dihydro-4H-isoindol-4-ones: Synthesis and NMR-Investigation

  摘要：

  The synthesis of novel N- substituted 5,5-dimethyl-2,5-dihydro-4H-isoindol-4-ones by reaction of 5,5-dimethyl-2,5-dihydro-4H-isoindol-4-one (1) with appropriate electrophiles (methyl iodide, 3,3-dimethylallyl bromide, 2-N,N-dimethylethyl chloride, ethyl 3-bromopropionate, benzoyl chloride, N,N-dimethyl-chloroformate, phenyl chloroformate) is described. Moreover, detailed nmr spectroscopic studies (H-1, C-13) with the title compounds are presented.

  DOI：

  10.3987/com-96-7510

文献信息

• N-Substituted 5,5-Dimethyl-2,5-dihydro-4H-isoindol-4-ones: Synthesis and NMR-Investigation
  作者：Helmut Spreitzer、Wolfgang Holzer、Gunther Fülep、Christiane Puschmann

  DOI：10.3987/com-96-7510

  日期：——

  The synthesis of novel N- substituted 5,5-dimethyl-2,5-dihydro-4H-isoindol-4-ones by reaction of 5,5-dimethyl-2,5-dihydro-4H-isoindol-4-one (1) with appropriate electrophiles (methyl iodide, 3,3-dimethylallyl bromide, 2-N,N-dimethylethyl chloride, ethyl 3-bromopropionate, benzoyl chloride, N,N-dimethyl-chloroformate, phenyl chloroformate) is described. Moreover, detailed nmr spectroscopic studies (H-1, C-13) with the title compounds are presented.