N1,N4-dimethyl-N1,N4-dipropylfumaramide | 1394853-71-4

• 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: N1,N4-dimethyl-N1,N4-dipropylfumaramide
• 英文别名: (E)-N,N'-dimethyl-N,N'-dipropylbut-2-enediamide
• CAS: 1394853-71-4
• 化学式: C₁₂H₂₂N₂O₂
• 分子量: 226.319
• InChiKey: FKZLRDKRKLHIGE-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N1,N4-dimethyl-N1,N4-dipropylfumaramide 在 水 、 氧气 、 臭氧 作用下， 以 二氯甲烷 为溶剂， 生成 2,2-dihydroxy-N-methyl-N-propylacetamide
  参考文献：
  名称：

  Development of an organo- and enzyme-catalysed one-pot, sequential three-component reaction

  摘要：

  A one-pot, three-component process is described which involves both organo- and enzyme-catalysed carbon-carbon bond-forming steps. In the first step, an organocatalyst catalyses the aldol reaction between acetaldehyde and a glyoxylamide. After dilution with additional aqueous buffer, and addition of pyruvate and an aldolase enzyme variant, a second aldol reaction occurs to yield a final product. Crucially, it was possible to develop a reaction in which both the organo- and enzyme-catalysed reactions could be performed in the same aqueous buffer system. The reaction described is the first example of a one-pot, three-component reaction in which the two carbon-carbon bond-forming processes are catalysed using the combination of an organocatalyst and an enzyme. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.02.010
• 作为产物：
  描述：

  反丁烯二酰氯 、 N-甲基正丙胺 以 乙醚 为溶剂， 以100%的产率得到N1,N4-dimethyl-N1,N4-dipropylfumaramide
  参考文献：
  名称：

  Development of an organo- and enzyme-catalysed one-pot, sequential three-component reaction

  摘要：

  A one-pot, three-component process is described which involves both organo- and enzyme-catalysed carbon-carbon bond-forming steps. In the first step, an organocatalyst catalyses the aldol reaction between acetaldehyde and a glyoxylamide. After dilution with additional aqueous buffer, and addition of pyruvate and an aldolase enzyme variant, a second aldol reaction occurs to yield a final product. Crucially, it was possible to develop a reaction in which both the organo- and enzyme-catalysed reactions could be performed in the same aqueous buffer system. The reaction described is the first example of a one-pot, three-component reaction in which the two carbon-carbon bond-forming processes are catalysed using the combination of an organocatalyst and an enzyme. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.02.010