Ethyl 2-(1-hydroxy-4-methylcyclohexyl)-2-methylpropanoate | 151600-40-7

• 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: Ethyl 2-(1-hydroxy-4-methylcyclohexyl)-2-methylpropanoate
• 英文别名: 1-Methyl-4-<1-carbaethoxy-1-methyl-aethyl>-cyclohexanol-(4)；2-(1-hydroxy-4-methyl-cyclohexyl)-2-methyl-propionic acid ethyl ester；2-(1-Hydroxy-4-methyl-cyclohexyl)-2-methyl-propionsaeure-aethylester
• CAS: 151600-40-7
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: VDOFKHHLZJXFRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴-2-甲基丙酸乙酯 、 4-甲基环己酮 在 锌 、 苯 作用下， 生成 Ethyl 2-(1-hydroxy-4-methylcyclohexyl)-2-methylpropanoate
  参考文献：
  名称：

  Wallach; Churchill, Justus Liebigs Annalen der Chemie, 1908, vol. 360, p. 70

  摘要：

  DOI：

文献信息

• Schick, Hans; Ludwig, Ralf; Schwarz, Karl-Heinz, Angewandte Chemie, 1993, vol. 105, # 8, p. 1218 - 1220
  作者：Schick, Hans、Ludwig, Ralf、Schwarz, Karl-Heinz、Kleiner, Katharina、Kunath, Annamarie

  DOI：——

  日期：——
• Wallach; Churchill, Justus Liebigs Annalen der Chemie, 1908, vol. 360, p. 70
  作者：Wallach、Churchill

  DOI：——

  日期：——
• Wallach, Chemische Berichte, 1906, vol. 39, p. 2504
  作者：Wallach

  DOI：——

  日期：——
• Synthesis of .alpha.,.alpha.,.beta.,.beta.-Tetrasubstituted .beta.-Lactones from Ketones, Ethyl .alpha.-Bromoisobutyrate, and Indium or Zinc. Factors Influencing the .beta.-Lactone Formation in the Electrochemical and the Classical Procedure of the Reformatsky Reaction
  作者：Hans Schick、Ralf Ludwig、Karl-Heinz Schwarz、Katharina Kleiner、Annamarie Kunath

  DOI：10.1021/jo00090a038

  日期：1994.6

  An efficient synthesis of alpha,alpha,beta,beta-tetrasubstituted beta-lactones is achieved by an electrochemically supported Reformatsky reaction of aliphatic and aromatic ketones with ethyl alpha-bromoisobutyrate at a sacrificial indium anode. Under these conditions, in most cases the expected beta-hydroxy esters are formed only in negligible amounts or not at all. beta-Lactones are also obtained with a sacrificial zinc anode or even with indium or zinc powder. The substitution pattern of the reactants, the polarity of the solvent, and the applied metal are recognized as factors influencing the extent of the beta-lactone formation.