2-(1-Ethoxyethoxy)-2-(3-oxobutyl)propanedinitrile | 137516-41-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(1-Ethoxyethoxy)-2-(3-oxobutyl)propanedinitrile
• CAS: 137516-41-7
• 化学式: C₁₁H₁₆N₂O₃
• 分子量: 224.26
• InChiKey: LIUVPFYIIMGVEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 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：
  83.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(1-Ethoxy-ethoxy)-malononitrile 、 丁烯酮 在 三乙胺 作用下， 以 苯 为溶剂， 反应 12.0h， 以85%的产率得到2-(1-Ethoxyethoxy)-2-(3-oxobutyl)propanedinitrile
  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

文献信息

• Synthesis of 1,4-dicarbonyl compounds via the conjugate addition of a masked activated ester, ROCH(CN)2
  作者：Yasufumi Kubota、Hisao Nemoto、Yoshinori Yamamoto

  DOI：10.1021/jo00026a003

  日期：1991.12

  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.