3-(1,1-Dimethyl-3-oxo-butyl)-cyclopentanone | 137846-68-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(1,1-Dimethyl-3-oxo-butyl)-cyclopentanone
• 英文别名: 3-(2-methyl-4-oxopentan-2-yl)cyclopentan-1-one
• CAS: 137846-68-5
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: QOBZNORSUZJTEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-(1,1-Dimethyl-3-oxo-butyl)-cyclopentanone 在 hydroxide 作用下， 以83%的产率得到6-Hydroxy-4,4,6-trimethyl-hexahydro-pentalen-1-one
  参考文献：
  名称：

  Carbonyl-protected .beta.-lithio aldehydes and ketones via reductive lithiation. A general preparative method for remarkably versatile homoenolate equivalents

  摘要：

  A general procedure for producing homoenolate equivalents consists of reductive lithiation, induced by 4,4'-di-tert-butylbiphenylide, of carbonyl-protected beta-(phenylthio) carbonyl compounds prepared in turn by thiophenol addition to enones or the alkylation of silyl enol ethers by alpha-chlorothioethers.

  DOI：

  10.1021/jo00027a004
• 作为产物：
  描述：

  2-Methyl-2-(2-methyl-2-phenylsulfanyl-propyl)-[1,3]dioxolane 在 oxonium 作用下， 生成 3-(1,1-Dimethyl-3-oxo-butyl)-cyclopentanone
  参考文献：
  名称：

  Carbonyl-protected .beta.-lithio aldehydes and ketones via reductive lithiation. A general preparative method for remarkably versatile homoenolate equivalents

  摘要：

  A general procedure for producing homoenolate equivalents consists of reductive lithiation, induced by 4,4'-di-tert-butylbiphenylide, of carbonyl-protected beta-(phenylthio) carbonyl compounds prepared in turn by thiophenol addition to enones or the alkylation of silyl enol ethers by alpha-chlorothioethers.

  DOI：

  10.1021/jo00027a004