butyrophenone iminate | 77821-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: butyrophenone iminate
• 英文别名: N-cyclohexyl-1-phenylbutan-1-imine
• CAS: 77821-53-5
• 化学式: C₁₆H₂₃N
• 分子量: 229.365
• InChiKey: NSARSRQGSWLZLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  butyrophenone iminate 在 盐酸 、 乙基溴化镁 作用下， 以 叔丁醇 为溶剂， 反应 22.0h， 生成 1-苯基-4-戊烯-1-酮
  参考文献：
  名称：

  Monoradical rearrangements of the 1,4-biradicals involved in Norrish type II photoreactions

  摘要：

  DOI：

  10.1021/ja00403a035
• 作为产物：
  描述：

  环己胺 、 苯丁酮 在 四氯化钛 作用下， 以 乙醚 、 正戊烷 为溶剂， 反应 15.0h， 生成 butyrophenone iminate
  参考文献：
  名称：

  Direct Electrophilic α-Fluorination of Imines:  Efficient Synthesis of Mono- and Difluoroimines

  摘要：

  A mild and efficient procedure to synthesize alpha-fluoro- and alpha,alpha-difluoroimines was developed. Various N-alkylimines derived from acetophenones were successfully monofluorinated using NFSI (N-fluorobenzenesulfonimide) in a mixture of CH3CN and DMF at 0 degrees C. Alternatively, the same procedure without DMF gave rise to difluorinated imines when performed at room temperature. The obtained alpha- and alpha,alpha-difluorinated imines were subsequently reduced to give the corresponding beta-fluoro- and beta,beta-difluoroamines in good yield.

  DOI：

  10.1021/ol061720z

文献信息

• Synthesis of 2-Oxo-2,5-dihydropyrroles; A Structural Reassignment
  作者：J. Barluenga、F. Palacios、S. Fustero、V. Gotor

  DOI：10.1055/s-1981-29382

  日期：——
• Direct Electrophilic α-Fluorination of Imines:  Efficient Synthesis of Mono- and Difluoroimines
  作者：Guido Verniest、Eva Van Hende、Riccardo Surmont、Norbert De Kimpe

  DOI：10.1021/ol061720z

  日期：2006.10.1

  A mild and efficient procedure to synthesize alpha-fluoro- and alpha,alpha-difluoroimines was developed. Various N-alkylimines derived from acetophenones were successfully monofluorinated using NFSI (N-fluorobenzenesulfonimide) in a mixture of CH3CN and DMF at 0 degrees C. Alternatively, the same procedure without DMF gave rise to difluorinated imines when performed at room temperature. The obtained alpha- and alpha,alpha-difluorinated imines were subsequently reduced to give the corresponding beta-fluoro- and beta,beta-difluoroamines in good yield.
• Monoradical rearrangements of the 1,4-biradicals involved in Norrish type II photoreactions
  作者：Peter J. Wagner、Kou-Chang Liu、Y. Noguchi

  DOI：10.1021/ja00403a035

  日期：1981.7