isopropyl 3,3,6-trimethyl-2-oxocyclohexanecarboxylate | 834900-75-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: isopropyl 3,3,6-trimethyl-2-oxocyclohexanecarboxylate
• 英文别名: Cyclohexanecarboxylic acid, 3,3,6-trimethyl-2-oxo-, 1-methylethyl ester；propan-2-yl 3,3,6-trimethyl-2-oxocyclohexane-1-carboxylate
• CAS: 834900-75-3
• 化学式: C₁₃H₂₂O₃
• 分子量: 226.316
• InChiKey: LEZDLYZREUBLQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  isopropyl 4,4-dimethyl-3-oxo-7-octenoate 在 Zeise's dimer 盐酸 、 europioum(III) chloride 作用下， 以 1,4-二氧六环 为溶剂， 以80%的产率得到isopropyl 3,3,6-trimethyl-2-oxocyclohexanecarboxylate
  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.