methyl 6,7-dimethyl-1,4-dioxo-1,4,4a,5,8,8a-hexahydronaphthalene-4a-carboxylate | 92252-41-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 6,7-dimethyl-1,4-dioxo-1,4,4a,5,8,8a-hexahydronaphthalene-4a-carboxylate
• 英文别名: 4a-Methoxycarbonyl-6,7-dimethyl-naphthalindion-(1,4)；methyl 2,3-dimethyl-5,8-dioxo-4,8a-dihydro-1H-naphthalene-4a-carboxylate
• CAS: 92252-41-0
• 化学式: C₁₄H₁₆O₄
• 分子量: 248.279
• InChiKey: UDDQSMDTSCIKMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  2,5-二羟基苯甲酸甲酯 、 2,3-二甲基-1,3-丁二烯 在 lithium perchlorate 作用下， 以 环己烷 、 乙腈 为溶剂， 以99%的产率得到methyl 6,7-dimethyl-1,4-dioxo-1,4,4a,5,8,8a-hexahydronaphthalene-4a-carboxylate
  参考文献：
  名称：

  Heterogeneous continuous flow synthetic system using cyclohexane-based multiphase electrolyte solutions

  摘要：

  The discovery that supporting electrolytes can be effectively confined in typical organic solvents in a c-Hex-based multiphase electrolyte solution has led to the development of a novel heterogeneous continuous flow synthetic system. PTFE fiber functions as a separation filter that can efficiently isolate the c-Hex phase from multiphase electrolyte solutions. This system has demonstrated both electrochemical solvating and carbon-carbon bond forming reactions. Hydrophobic substrates can be introduced into the reactor as c-Hex solutions, which are then electrochemically transformed into the target hydrophobic products that pass through the PTFE fiber as c-Hex solutions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.07.007