2-((2E,4E)-5-Dimethylamino-penta-2,4-dienoyl)-6-[(E)-3-dimethylamino-prop-2-en-(E)-ylidene]-cyclohexanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-((2E,4E)-5-Dimethylamino-penta-2,4-dienoyl)-6-[(E)-3-dimethylamino-prop-2-en-(E)-ylidene]-cyclohexanone
• 英文别名: (6E)-2-[(2E,4E)-5-(dimethylamino)penta-2,4-dienoyl]-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one
• 化学式: C₁₈H₂₆N₂O₂
• 分子量: 302.417
• InChiKey: JGRQCYCZQOWESW-ZDAHJEJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-乙酰基环己酮 、 β-(dimethylamino)acrolein aminal 以 苯 为溶剂， 反应 0.6h， 以50%的产率得到2-((2E,4E)-5-Dimethylamino-penta-2,4-dienoyl)-6-[(E)-3-dimethylamino-prop-2-en-(E)-ylidene]-cyclohexanone
  参考文献：
  名称：

  Reaction of aminals of conjugated unsaturated ?-dimethylaminoaldehydes with 1,2-, 1,3-, 1,4-, 1,5-, and 1,6-diketones

  摘要：

  The condensation of aminals of beta-dimethylaminoacrolein and 5-dimethylaminopenta-2,4-dienal with cyclic and acyclic 1,2-, 1,3-, 1,4-, 1,5-, and 1,6-diketones was studied. A series of previously unknown bis(omega,omega'-dimethylaminopolyenyl)diketones was synthesized; their structures were established by means of H-1 and C-13 NMR spectroscopies. The electron absorption spectra were employed to study the mutual influence of omega-aminopolyene chromophores separated by two C=O groups.

  DOI：

  10.1007/bf00702001