2-acetyl-3-propylcyclohex-2-en-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-acetyl-3-propylcyclohex-2-en-1-one
• 英文别名: 2-Acetyl-3-propyl-2-cyclohexen-1-one
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: PFDYYVCAJAVXHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-己醇 在 sodium containing Pt/gamma-alumina catalyst 作用下， 482.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 生成 2-己烯 、 1-己烯 、 2-壬酮 、 5-十二酮 、 5-壬酮 、 2-acetyl-3-propylcyclohex-2-en-1-one 、 methane
  参考文献：
  名称：

  Dehydrocyclization of C6 Hydrocarbon With and Without Oxygen Containing Substituent Over Pt/(Na)-Al2O3 Catalyst

  摘要：

  The presence of hydroxyl or keto functional group affects both activity and selectivity for dehydrocyclization of C-6 hydrocarbon over Pt/(Na)-Al2O3 catalyst. Under similar reaction conditions, n-hexane produces benzene as the primary product (> 40 %), whereas dehydration is a major reaction pathway for 2-hexanol and yields mainly hexenes (> 70 %). However, 2-hexanone was found to be involved in a variety of reactions over Pt/(Na)-Al2O3 catalyst and produces lower hydrocarbons (C-2-C-5), 5-dodecanone, 2- and 5-nonanones, and 2-acetyl-3-propyl-2-cyclohexen-1-one. The presence of hydroxyl (-OH) or keto group (=C=O) at the C-2 position alters the interaction of C-6 hydrocarbon with the catalyst surface which eventually controls the overall product selectivity.[GRAPHICS]

  DOI：

  10.1007/s10562-015-1643-z

文献信息

• Dehydrocyclization of C6 Hydrocarbon With and Without Oxygen Containing Substituent Over Pt/(Na)-Al2O3 Catalyst
  作者：Muthu Kumaran Gnanamani、Wilson D. Shafer、Robert A. Keogh、Burtron H. Davis

  DOI：10.1007/s10562-015-1643-z

  日期：2016.2

  The presence of hydroxyl or keto functional group affects both activity and selectivity for dehydrocyclization of C-6 hydrocarbon over Pt/(Na)-Al2O3 catalyst. Under similar reaction conditions, n-hexane produces benzene as the primary product (> 40 %), whereas dehydration is a major reaction pathway for 2-hexanol and yields mainly hexenes (> 70 %). However, 2-hexanone was found to be involved in a variety of reactions over Pt/(Na)-Al2O3 catalyst and produces lower hydrocarbons (C-2-C-5), 5-dodecanone, 2- and 5-nonanones, and 2-acetyl-3-propyl-2-cyclohexen-1-one. The presence of hydroxyl (-OH) or keto group (=C=O) at the C-2 position alters the interaction of C-6 hydrocarbon with the catalyst surface which eventually controls the overall product selectivity.[GRAPHICS]