2-(2-nitrophenyl)-1-(4-pentylphenyl)ethanone | 1443152-90-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(2-nitrophenyl)-1-(4-pentylphenyl)ethanone
• 英文别名: 2-(2-Nitrophenyl)-1-(4-pentylphenyl)ethanone
• CAS: 1443152-90-6
• 化学式: C₁₉H₂₁NO₃
• 分子量: 311.381
• InChiKey: MEMIWAGXNPUWPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-硝基碘苯 、 4-戊基苯乙炔 在 四氢吡咯 、 copper(l) iodide 、 四(三苯基膦)钯 、 水 作用下， 反应 8.0h， 以82%的产率得到2-(2-nitrophenyl)-1-(4-pentylphenyl)ethanone
  参考文献：
  名称：

  Palladium and copper catalyzed one-pot Sonogashira reaction of 2-nitroiodobenzenes with aryl acetylenes and subsequent regioselective hydration in water: synthesis of 2-(2-nitrophenyl)-1-aryl ethanones

  摘要：

  An attempted Sonogashira reaction of 2-nitroiodobenzene and phenyl acetylene catalyzed by Pd(PPh3)(4)/Cu in water in the presence of pyrrolidine proceeds with simultaneous regioselective hydration of the Sonogashira alkyne leading to the corresponding aryl ketone. A series of functionalized 2-(2-nitrophenyl)-1-aryl ethanones are obtained in high yields by this procedure. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.021

文献信息

• Palladium and copper catalyzed one-pot Sonogashira reaction of 2-nitroiodobenzenes with aryl acetylenes and subsequent regioselective hydration in water: synthesis of 2-(2-nitrophenyl)-1-aryl ethanones
  作者：Sabir Ahammed、Raju Dey、Brindaban C. Ranu

  DOI：10.1016/j.tetlet.2013.05.021

  日期：2013.7

  An attempted Sonogashira reaction of 2-nitroiodobenzene and phenyl acetylene catalyzed by Pd(PPh3)(4)/Cu in water in the presence of pyrrolidine proceeds with simultaneous regioselective hydration of the Sonogashira alkyne leading to the corresponding aryl ketone. A series of functionalized 2-(2-nitrophenyl)-1-aryl ethanones are obtained in high yields by this procedure. (C) 2013 Elsevier Ltd. All rights reserved.