methyl trans-2-oxo-6-(methylethenyl)-cyclohexanecarboxylate | 97690-45-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl trans-2-oxo-6-(methylethenyl)-cyclohexanecarboxylate
• CAS: 97690-45-4；127230-50-6
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: KVIRFOYGPNGOSO-WPRPVWTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  8-Methyl-3-oxo-non-7-enoic acid methyl ester 在 copper diacetate 、 manganese triacetate 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以41%的产率得到methyl trans-2-oxo-6-(methylethenyl)-cyclohexanecarboxylate
  参考文献：
  名称：

  Manganese(III)-based oxidative free-radical cyclization of unsaturated .beta.-keto esters, 1,3-diketones, and malonate diesters

  摘要：

  DOI：

  10.1021/jo00295a035

文献信息

• Enantiomerically Pure 6-Substituted 2-Oxo-cyclohexanecarboxylates by Conjugate Addition of Cuprates to Asymmetric Shielded 2-Oxo-cyclohexenecarboxylates
  作者：Ernst Urban、Gerhard Richs、Guido Knühl

  DOI：10.1016/0040-4020(95)00676-y

  日期：1995.10

  Asymmetric shielded 2-oxo-cyclohexenecarboxylates 6n and 6x were prepared by transesterification of 2-oxo-cyclohexanecarboxylate 2 with camphor derived concave alcohols In and Ix and by subsequent introduction of a double bond via phenylselenides. Diastereoselective conjugate addition of equimolar amounts of mixed cuprates at -78 degrees C and deprotection by methanolysis gave enantiomerically pure 6-substituted 2-oxo-cyclohexanecarboxylates 14-19 and ent-14-19, valuable as chiral building blocks in natural product synthesis.