1-(3'-乙酰基苯基)-5-戊酮 | 1022991-17-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(3'-乙酰基苯基)-5-戊酮
• 英文名称: 1-(3'-acetylphenyl)-5-pentanone
• 英文别名: 3-(3-Oxopentyl)benzonitrile；3-(3-oxopentyl)benzonitrile
• CAS: 1022991-17-8
• 化学式: C₁₂H₁₃NO
• 分子量: 187.241
• InChiKey: KNIBHMFSBKXESZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  间溴苯甲腈 、 1-(trifluoro-λ⁴-boranyl)pentan-3-one potassium salt 在 palladium diacetate 、 potassium carbonate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 水 、 甲苯 为溶剂， 反应 18.0h， 以87%的产率得到1-(3'-乙酰基苯基)-5-戊酮
  参考文献：
  名称：

  Suzuki−Miyaura Cross-Coupling of Potassium Trifluoroboratohomoenolates

  摘要：

  Ketone-, ester-, and amide-containing potassium trifluoroboratohomoenolates were prepared in good to excellent yields from the corresponding unsaturated carbonyl compounds. They were shown to be effective coupling partners in the Suzuki-Miyaura reaction with a variety of electrophiles including electron-rich and electron-poor aryl bromides and -chlorides.

  DOI：

  10.1021/ol800357c

文献信息

• Suzuki−Miyaura Cross-Coupling of Potassium Trifluoroboratohomoenolates
  作者：Gary A. Molander、Daniel E. Petrillo

  DOI：10.1021/ol800357c

  日期：2008.5.1

  Ketone-, ester-, and amide-containing potassium trifluoroboratohomoenolates were prepared in good to excellent yields from the corresponding unsaturated carbonyl compounds. They were shown to be effective coupling partners in the Suzuki-Miyaura reaction with a variety of electrophiles including electron-rich and electron-poor aryl bromides and -chlorides.