3-diethylamino-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2,4-pentadienal

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-diethylamino-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2,4-pentadienal
• 英文别名: (2Z,4E)-3-(diethylamino)-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienal
• 化学式: C₁₈H₂₉NO
• 分子量: 275.434
• InChiKey: WFHGUYUEKRCAAR-ZBUTWXCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N,N-二乙基甲酰胺 、 alpha-ionone 在 三氯氧磷 作用下， 反应 0.75h， 以28%的产率得到3-diethylamino-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2,4-pentadienal
  参考文献：
  名称：

  Synthesis of ionones and carvone analogues: olfactory properties and preliminary toxicity assays

  摘要：

  Vilsmeier reagents react with alpha/beta-ionones and carvone to produce aldehydes 7-11 in a one-step procedure. The indene derivative 11, which came from the double iminoalkylation of carvone and ring closure with the elimination of dimethylamine, was practically odourless, while all the others had peculiar odours which were very different from the starting material. The cytotoxicity data of 9 and 10, which are the most promising potential perfume ingredients, are also reported. (C) 2000 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)00181-1

文献信息

• Synthesis of ionones and carvone analogues: olfactory properties and preliminary toxicity assays
  作者：M Anzaldi

  DOI：10.1016/s0223-5234(00)00181-1

  日期：2000.9

  Vilsmeier reagents react with alpha/beta-ionones and carvone to produce aldehydes 7-11 in a one-step procedure. The indene derivative 11, which came from the double iminoalkylation of carvone and ring closure with the elimination of dimethylamine, was practically odourless, while all the others had peculiar odours which were very different from the starting material. The cytotoxicity data of 9 and 10, which are the most promising potential perfume ingredients, are also reported. (C) 2000 Editions scientifiques et medicales Elsevier SAS.