2-cyano-5-methyl-6-(N',N'-dimethylhydrazono)-hexa-2,4-dienenitrile | 311813-06-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-cyano-5-methyl-6-(N',N'-dimethylhydrazono)-hexa-2,4-dienenitrile
• 英文别名: 2-[(E,4E)-4-(dimethylhydrazinylidene)-3-methylbut-2-enylidene]propanedinitrile
• CAS: 311813-06-6
• 化学式: C₁₀H₁₂N₄
• 分子量: 188.232
• InChiKey: UZCOMKDULYLLKH-DZKPWUJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.18
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-cyano-5-methyl-6-(N',N'-dimethylhydrazono)-hexa-2,4-dienenitrile 在 盐酸 作用下， 反应 3.0h， 以31%的产率得到2-cyano-5-methyl-6-oxohexa-2,4-dienenitrile
  参考文献：
  名称：

  On the Reaction between 1-Aza-1,3-dienes and Push-Pull Olefins of the Acyloxymethylidene-malononitrile Type

  摘要：

  The reaction between push-pull olefins of the acyloxymethyiidene-malononitrile type and alpha,beta-unsaturated hydrazones affords selectively 5-alkyl-2-cyano-6-(N',N'-dimethylhydrazono)-hexa-2,4-dienenitriles. No [4+2]-cycloaddition products were detected. The structure elucidation of the obtained compounds and possible reaction mechanisms are discussed.

  DOI：

  10.1007/s007060070066
• 作为产物：
  描述：

  2,2-二氰基乙烯基乙酸酯 、 (E)-1,1-dimethyl-2-(2-methylallylidene)hydrazine 以 苯 为溶剂， 反应 24.0h， 生成 2-cyano-5-methyl-6-(N',N'-dimethylhydrazono)-hexa-2,4-dienenitrile
  参考文献：
  名称：

  On the Reaction between 1-Aza-1,3-dienes and Push-Pull Olefins of the Acyloxymethylidene-malononitrile Type

  摘要：

  The reaction between push-pull olefins of the acyloxymethyiidene-malononitrile type and alpha,beta-unsaturated hydrazones affords selectively 5-alkyl-2-cyano-6-(N',N'-dimethylhydrazono)-hexa-2,4-dienenitriles. No [4+2]-cycloaddition products were detected. The structure elucidation of the obtained compounds and possible reaction mechanisms are discussed.

  DOI：

  10.1007/s007060070066