N-isopropyl-2-(2-cyclohexenyl)aniline | 848073-66-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-isopropyl-2-(2-cyclohexenyl)aniline
• 英文别名: 2-cyclohex-2-en-1-yl-N-propan-2-ylaniline
• CAS: 848073-66-5
• 化学式: C₁₅H₂₁N
• 分子量: 215.338
• InChiKey: OOXBKECDIUYFIM-UHFFFAOYSA-N

物化性质

• 沸点：
  318.6±31.0 °C(Predicted)
• 密度：
  0.993±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-isopropyl-2-(2-cyclohexenyl)aniline 在 碘 、 碳酸氢钠 作用下， 以 四氯化碳 为溶剂， 以95%的产率得到N-isopropyl-1-iodo-1,2,3,4,4a,9a-hexahydrocarbazole
  参考文献：
  名称：

  Reactions of N- and C-Alkenylanilines: V. Synthesis of Iodo-Substituted Heterocycles from o-Cycloalkenylanilines and Their Transformations

  摘要：

  Iodination of N-isopropyl- and N-benzyl-2-(2-cyclohexenyl)anilines gave the corresponding 1-iodohexahydrocarbazoles which underwent quantitative isomerization into 3-iodo-2,4-propano-1,2,3,4-tetrahydroquinolines. Nucleophilic substitution in 1-iodohexahydrocarbazoles and 3-iodo-2,4-propano-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole was studied. N-Allylation of the latter via reaction with allyl bromide is accompanied by replacement of the iodine atom by bromine.

  DOI：

  10.1023/b:rujo.0000045190.75301.70
• 作为产物：
  描述：

  2-环己-2-烯-1-基苯胺 、 2-溴丙烷 在 potassium carbonate 作用下， 以 异丙醇 为溶剂， 反应 16.0h， 以95%的产率得到N-isopropyl-2-(2-cyclohexenyl)aniline
  参考文献：
  名称：

  Reactions of N- and C-Alkenylanilines: V. Synthesis of Iodo-Substituted Heterocycles from o-Cycloalkenylanilines and Their Transformations

  摘要：

  Iodination of N-isopropyl- and N-benzyl-2-(2-cyclohexenyl)anilines gave the corresponding 1-iodohexahydrocarbazoles which underwent quantitative isomerization into 3-iodo-2,4-propano-1,2,3,4-tetrahydroquinolines. Nucleophilic substitution in 1-iodohexahydrocarbazoles and 3-iodo-2,4-propano-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole was studied. N-Allylation of the latter via reaction with allyl bromide is accompanied by replacement of the iodine atom by bromine.

  DOI：

  10.1023/b:rujo.0000045190.75301.70