2-氧代-1-(3-氧代环己基)环己烷-1-羧酸乙酯 | 170970-00-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氧代-1-(3-氧代环己基)环己烷-1-羧酸乙酯
• 英文名称: methyl 2-oxo-1-(3-oxocyclohexyl)cyclohexanecarboxylate
• 英文别名: 2,3'-dioxobicyclohexyl-1-carboxylic acid ethyl ester；[1,1'-Bicyclohexyl]-1-carboxylic acid, 2,3'-dioxo-, ethyl ester；ethyl 2-oxo-1-(3-oxocyclohexyl)cyclohexane-1-carboxylate
• CAS: 170970-00-0
• 化学式: C₁₅H₂₂O₄
• 分子量: 266.337
• InChiKey: JPCHQPLDXOXHMY-UHFFFAOYSA-N

物化性质

• 沸点：
  392.1±42.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-环己烯-1-酮 、 2-环己酮甲酸乙酯 在 六甲基磷酰三胺 、 lithium chloride 作用下， 生成 2-氧代-1-(3-氧代环己基)环己烷-1-羧酸乙酯
  参考文献：
  名称：

  A New Method for the Preparation of Michael Adducts and Cyclic Enones Using Lithium Chloride-Hexamethylphosphoramide System.

  摘要：

  一种使用氯化锂和六甲基磷酰胺的新程序被发现对迈克尔型加成物和环己烯酮的合成非常有用。通过改变反应温度，可以控制两种产品的选择性。此外，还研究了以脲类溶剂替代六甲基磷酰胺的情况。

  DOI：

  10.1248/cpb.43.734

文献信息

• Electrochemically Induced Addition Reactions in the Absence of Solvent and Supporting Electrolyte
  作者：Tonino Caruso、Marta Feroci、Achille Inesi、Monica Orsini、Arrigo Scettri、Laura Palombi

  DOI：10.1002/adsc.200606082

  日期：2006.9

  Solvent- and supporting electrolyte-free electrolysis in a two-compartment cell proved to be effective for the direct electroactivation of CH acid-containing compounds vs. catalytic addition processes. Michael adducts (including quaternary carbon centres) and 2-nitroalkanols were obtained in very good yields and selectivity on application of a catalytic amount of electricity under galvanostatic conditions

  在两室电解槽中，无溶剂和无电解质的电解被证明对含CH酸的化合物的直接电活化相对于催化加成过程是有效的。通过在恒电流条件下施加催化量的电，可以非常好的收率和选择性获得迈克尔加合物（包括季碳中心）和2-硝基链烷醇。
• Copper(II) Triflate Immobilized in [bmim]BF₄Ionic liquid: An Efficient Reaction Medium for Michael Addition of β-Ketoesters to Acceptor-activated Alkenes
  作者：J. S. Yadav、B. V. S. Reddy、Gakul Baishya、A. Venkat Narsaiah

  DOI：10.1246/cl.2005.102

  日期：2005.1

  1,3-Dicarbonyl compounds undergo smooth conjugate addition to α,β-unsaturated ketones in the presence of 10 mol % copper(II) triflate immobilized in air and moisture stable [bmim]BF 4 ionic liquid under extremely mild conditions to afford the corresponding Michael adducts in high to quantitative yield.

  1,3-二羰基化合物在 10 mol % 三氟甲磺酸铜 (II) 固定在空气和水分稳定的 [bmim]BF 4 离子液体中，在极其温和的条件下与 α,β-不饱和酮进行平滑的共轭加成，得到相应的迈克尔加合物以高到定量收率。
• Efficient Organocatalytic Michael Addition Reaction of β−Ketoesters under High Pressure
  作者：Hiyoshizo Kotsuki、Maya Moritaka、Keiji Nakano

  DOI：10.3987/com-13-12818

  日期：——

  The Michael addition reaction of beta-ketoesters was efficiently promoted by a cooperative dual catalyst system composed by DMAP and thiourea A under high-pressure conditions (0.8 GPa) in toluene. The expected relatively congested adducts of 1,5-dicarbonyl compounds were prepared in high to excellent yield.