Methyl 4,4-dicyano-4-(1-ethoxyethoxy)butanoate | 137516-44-0

• 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: Methyl 4,4-dicyano-4-(1-ethoxyethoxy)butanoate
• CAS: 137516-44-0
• 化学式: C₁₁H₁₆N₂O₄
• 分子量: 240.259
• InChiKey: PMXAVOROZVQBHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  92.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 4,4-dicyano-4-(1-ethoxyethoxy)butanoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 4,4-Dicyano-4-hydroxy-butyric acid methyl ester
  参考文献：
  名称：

  Synthesis of 1,4-dicarbonyl compounds via the conjugate addition of a masked activated ester, ROCH(CN)2

  摘要：

  A new acyl anion equivalent for the preparation of masked activated esters, the protected hydroxymalonitrile 1, readily undergoes conjugate addition to alpha,beta-unsaturated carbonyl derivatives 2 to give the masked 1,4-dicarbonyl compounds 3 in good to high yields. 1,4-Dicarbonyl compounds 4, in which one of the two carbonyl groups has a reactivity different from the other, can be prepared selectively from 3.

  DOI：

  10.1021/jo00026a003
• 作为产物：
  描述：

  2-(1-Ethoxy-ethoxy)-malononitrile 、 丙烯酸甲酯（MA） 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 10.0h， 以90%的产率得到Methyl 4,4-dicyano-4-(1-ethoxyethoxy)butanoate
  参考文献：
  名称：

  Synthesis of 1,4-dicarbonyl compounds via the conjugate addition of a masked activated ester, ROCH(CN)2

  摘要：

  A new acyl anion equivalent for the preparation of masked activated esters, the protected hydroxymalonitrile 1, readily undergoes conjugate addition to alpha,beta-unsaturated carbonyl derivatives 2 to give the masked 1,4-dicarbonyl compounds 3 in good to high yields. 1,4-Dicarbonyl compounds 4, in which one of the two carbonyl groups has a reactivity different from the other, can be prepared selectively from 3.

  DOI：

  10.1021/jo00026a003