2-hydroxy-N,N-dipropylpent-4-enamide | 1394853-74-7

• 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: 2-hydroxy-N,N-dipropylpent-4-enamide
• CAS: 1394853-74-7
• 化学式: C₁₁H₂₁NO₂
• 分子量: 199.293
• InChiKey: SVQQUQLNHKMQRO-UHFFFAOYSA-N

物化性质

• 沸点：
  308.5±35.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-hydroxy-N,N-dipropylpent-4-enamide 在 盐酸 、 N-acetylneuraminic acid lyase E₁₉₂N mutant 、 双氧水 、 氧气 、 臭氧 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 72.0h， 生成 rac-(3R,5R)-6-(dipropylamino)-3,5-dihydroxy-6-oxohexanoic acid
  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：

  二正丙胺 在 potassium osmate(VI) dihydrate 、 sodium periodate 、 水 、 四氯化钛 、 N-甲基吗啉氧化物 、 柠檬酸 作用下， 以 乙醚 、 二氯甲烷 、 叔丁醇 为溶剂， 反应 109.25h， 生成 2-hydroxy-N,N-dipropylpent-4-enamide
  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