ethyl 5-amino-4,6,6-tricyano-1-(2-ethoxy-2-oxoethyl)-3-phenylcyclohexa-2,4-diene-1-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 5-amino-4,6,6-tricyano-1-(2-ethoxy-2-oxoethyl)-3-phenylcyclohexa-2,4-diene-1-carboxylate
• 英文别名: Ethyl 5-amino-4,6,6-tricyano-1-(2-ethoxy-2-oxoethyl)-2-phenylcyclohexa-2,4-diene-1-carboxylate；ethyl 5-amino-4,6,6-tricyano-1-(2-ethoxy-2-oxoethyl)-2-phenylcyclohexa-2,4-diene-1-carboxylate
• 化学式: C₂₂H₂₀N₄O₄
• 分子量: 404.425
• InChiKey: XAYOQQKHIIKPQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  150
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(1-苯基亚乙基)丙二腈 、 丁炔二酸二乙酯 、 丙二腈 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以58%的产率得到ethyl 5-amino-4,6,6-tricyano-1-(2-ethoxy-2-oxoethyl)-3-phenylcyclohexa-2,4-diene-1-carboxylate
  参考文献：
  名称：

  A Convenient Approach to the Synthesis of Novel Substituted Cyclohexadienes by the Vinylogous Michael Addition of α,α-Dicyanoolefins

  摘要：

  A concise and efficient approach to substituted cyclohexadienes has been developed. The method involves vinylogous addition of ,-dicyanoolefins to Michael adduct intermediates, formed from malononitrile and dialkyl acetylenedicarboxylates, in the presence of triethylamine in ethanol. The method has the advantages of good yields and simple operations, and of not requiring a metal catalyst or an inert atmosphere.

  DOI：

  10.1055/s-0033-1340345

文献信息

• A Convenient Approach to the Synthesis of Novel Substituted Cyclohexadienes by the Vinylogous Michael Addition of α,α-Dicyanoolefins
  作者：Abdolali Alizadeh、Hadi Sedighian、Fahimeh Bayat

  DOI：10.1055/s-0033-1340345

  日期：——

  A concise and efficient approach to substituted cyclohexadienes has been developed. The method involves vinylogous addition of ,-dicyanoolefins to Michael adduct intermediates, formed from malononitrile and dialkyl acetylenedicarboxylates, in the presence of triethylamine in ethanol. The method has the advantages of good yields and simple operations, and of not requiring a metal catalyst or an inert atmosphere.