[4-[3-(2-Nitrophenyl)-3-(pentanoylamino)propanoyl]phenyl] propanoate | 1186586-02-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: [4-[3-(2-Nitrophenyl)-3-(pentanoylamino)propanoyl]phenyl] propanoate
• 英文别名: [4-[3-(2-nitrophenyl)-3-(pentanoylamino)propanoyl]phenyl] propanoate
• CAS: 1186586-02-6
• 化学式: C₂₃H₂₆N₂O₆
• 分子量: 426.469
• InChiKey: SOUZMSORGNIOBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  戊腈 、 丙酰氯 、 邻硝基苯甲醛 、 对羟基苯乙酮 在 Selectfluor 、 水 作用下， 以81%的产率得到[4-[3-(2-Nitrophenyl)-3-(pentanoylamino)propanoyl]phenyl] propanoate
  参考文献：
  名称：

  An efficient green MCR protocol for the stereoselective synthesis of β-acetamido ketones catalyzed by Selectfluor™

  摘要：

  An efficient, green, room temperature process for the stereoselective synthesis of beta-amido ketones employing a one-pot multi-component reaction of aromatic aldehydes, alpha-substituted or alpha-unsubstituted ketones, an acid chloride, and a nitrile in presence of catalytic amount of Selectfluor (TM) is described. The process offers advantages such as high anti-selectivity, shorter reaction time, energy efficiency, and simple work-up. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.06.022

文献信息

• An efficient green MCR protocol for the stereoselective synthesis of β-acetamido ketones catalyzed by Selectfluor™
  作者：V.S. Shinu、B. Sheeja、E. Purushothaman、D. Bahulayan

  DOI：10.1016/j.tetlet.2009.06.022

  日期：2009.8

  An efficient, green, room temperature process for the stereoselective synthesis of beta-amido ketones employing a one-pot multi-component reaction of aromatic aldehydes, alpha-substituted or alpha-unsubstituted ketones, an acid chloride, and a nitrile in presence of catalytic amount of Selectfluor (TM) is described. The process offers advantages such as high anti-selectivity, shorter reaction time, energy efficiency, and simple work-up. (c) 2009 Elsevier Ltd. All rights reserved.