3-cyclohexyl-2-methylbut-2-enal | 641630-09-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-cyclohexyl-2-methylbut-2-enal
• 英文别名: 2-Cyclohexyl-3-methylbut-2-enal
• CAS: 641630-09-3
• 化学式: C₁₁H₁₈O
• 分子量: 166.263
• InChiKey: UYHBYYOWMWLISO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-cyclohexyl-2-methylbut-2-enal 在 manganese(IV) oxide 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 96.0h， 生成 3-cyclohexyl-2-methylocta-2,7-dien-4-one
  参考文献：
  名称：

  Substituted hepta-1,6-dien-3-ones with green/fruity odours green/galbanum olfactophore model

  摘要：

  Following an analysis of available SAR data on green/galbanum-smelling molecules, a series of new 2-substituted hepta-1,6-dien-3-ones and their analogues were prepared and their olfactory properties evaluated. The study allowed to select efficient new odourants-potential substitutes for natural galbanum oil-and to generate an olfactophore model for the green/galbanum note. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00189-5
• 作为产物：
  描述：

  环己基乙酸乙酯 在 lithium aluminium tetrahydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 为溶剂， 生成 3-cyclohexyl-2-methylbut-2-enal
  参考文献：
  名称：

  Substituted hepta-1,6-dien-3-ones with green/fruity odours green/galbanum olfactophore model

  摘要：

  Following an analysis of available SAR data on green/galbanum-smelling molecules, a series of new 2-substituted hepta-1,6-dien-3-ones and their analogues were prepared and their olfactory properties evaluated. The study allowed to select efficient new odourants-potential substitutes for natural galbanum oil-and to generate an olfactophore model for the green/galbanum note. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00189-5

文献信息

• Substituted hepta-1,6-dien-3-ones with green/fruity odours green/galbanum olfactophore model
  作者：Jerzy A Bajgrowicz、Katja Berg-Schultz、Gerhard Brunner

  DOI：10.1016/s0968-0896(03)00189-5

  日期：2003.7

  Following an analysis of available SAR data on green/galbanum-smelling molecules, a series of new 2-substituted hepta-1,6-dien-3-ones and their analogues were prepared and their olfactory properties evaluated. The study allowed to select efficient new odourants-potential substitutes for natural galbanum oil-and to generate an olfactophore model for the green/galbanum note. (C) 2003 Elsevier Science Ltd. All rights reserved.