2,2,5-trimethyl-6-propionylcyclohexanone | 834900-40-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,2,5-trimethyl-6-propionylcyclohexanone
• 英文别名: Cyclohexanone, 2,2,5-trimethyl-6-(1-oxopropyl)-；2,2,5-trimethyl-6-propanoylcyclohexan-1-one
• CAS: 834900-40-2
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: WFKZPYWBJUQMCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  6,6-dimethyl-9-decene-3,5-dione 在 Zeise's dimer 盐酸 、 europioum(III) chloride 作用下， 以 1,4-二氧六环 为溶剂， 以87%的产率得到2,2,5-trimethyl-6-propionylcyclohexanone
  参考文献：
  名称：

  Platinum(II)/europium(III)-catalyzed intramolecular hydroalkylation of 4-pentenyl β-dicarbonyl compounds

  摘要：

  Reaction of 5,5-dimethyl-8-nonene-2,4-dione with a catalytic mixture of (PtCL2(CH2=CH2)](2) (2) (1 mol%). and EuCl3, (2 mol%) in dioxane that contained HC1 (l.0equiv) at 90degreesC for 18h led to the isolation of 2-acetyl-3.6.6-trimethyl-2 -cyclohexanone in 85% yield. A number of 4-pentenyl beta-dicarbonyl compounds underwent intramolecular hydroalkylation to form Cyclohexanones in moderate to excellent yield. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.060

文献信息

• Platinum(II)/europium(III)-catalyzed intramolecular hydroalkylation of 4-pentenyl β-dicarbonyl compounds
  作者：Cong Liu、Ross A. Widenhoefer

  DOI：10.1016/j.tetlet.2004.11.060

  日期：2005.1

  Reaction of 5,5-dimethyl-8-nonene-2,4-dione with a catalytic mixture of (PtCL2(CH2=CH2)](2) (2) (1 mol%). and EuCl3, (2 mol%) in dioxane that contained HC1 (l.0equiv) at 90degreesC for 18h led to the isolation of 2-acetyl-3.6.6-trimethyl-2 -cyclohexanone in 85% yield. A number of 4-pentenyl beta-dicarbonyl compounds underwent intramolecular hydroalkylation to form Cyclohexanones in moderate to excellent yield. (C) 2004 Elsevier Ltd. All rights reserved.