1-(benzylamino)-1-oxobutan-2-yl 3-methylbut-2-enoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-(benzylamino)-1-oxobutan-2-yl 3-methylbut-2-enoate
• 英文别名: [1-(benzylamino)-1-oxobutan-2-yl] 3-methylbut-2-enoate
• 化学式: C₁₆H₂₁NO₃
• 分子量: 275.348
• InChiKey: QAGSOZCSZRZRJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3,3-二甲基丙烯酸 、 苄异腈 、 丙醛 以 水 为溶剂， 以89%的产率得到1-(benzylamino)-1-oxobutan-2-yl 3-methylbut-2-enoate
  参考文献：
  名称：

  Aqueous medium effects on multi-component reactions

  摘要：

  The effect of aqueous media on many organic reactions has been studied, and often those reactions exhibiting pressure acceleration are also accelerated in water. Because some specific examples of the Ugi and Passerini reactions that are inefficient under conventional conditions have been accelerated by pressure, we examined Ugi and Passerini reactions in aqueous solutions, where significant increases in efficiency were observed. These effects were correlated to the cohesive energy density of aqueous solutions. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.08.068

文献信息

• Aqueous medium effects on multi-component reactions
  作者：Michael C. Pirrung、Koushik Das Sarma

  DOI：10.1016/j.tet.2005.08.068

  日期：2005.11

  The effect of aqueous media on many organic reactions has been studied, and often those reactions exhibiting pressure acceleration are also accelerated in water. Because some specific examples of the Ugi and Passerini reactions that are inefficient under conventional conditions have been accelerated by pressure, we examined Ugi and Passerini reactions in aqueous solutions, where significant increases in efficiency were observed. These effects were correlated to the cohesive energy density of aqueous solutions. (c) 2005 Elsevier Ltd. All rights reserved.