4-hydroxycryptone | 39725-34-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxycryptone
• 英文别名: 4-hydroxy-4-isopropyl-2-cyclohexenone；4-Hydroxy-crypton；4-hydroxy-4-propan-2-ylcyclohex-2-en-1-one
• CAS: 39725-34-3
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: CONYQDCNFROMMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  264.9±39.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)
• 保留指数：
  1319

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  生成 4-hydroxycryptone
  参考文献：
  名称：

  Base induced isomerizations of λ,δ-epoxyketones—II

  摘要：

  DOI：

  10.1016/s0040-4020(01)93616-6

文献信息

• A Mild, Catalytic, and Highly Selective Method for the Oxidation of α,β-Enones to 1,4-Enediones
  作者：Jin-Quan Yu、E. J. Corey

  DOI：10.1021/ja0340735

  日期：2003.3.1

  A new and simple method is described for the one-step oxidation of alpha,beta-enones to 1,4-enediones in good yields (generally 80-90%) using t-butylhydroperoxide as stoichiometric oxidant and 20% Pd(OH)2 on carbon (5 mol %) as catalyst in CH2Cl2 solution. The same reagents have been used to convert ethylene ketals of alpha,beta-enones to the corresponding monoethylene ketals of 1,4-enediones. Seven representative examples are presented in Table 1. All of the available evidence on these oxidations points to a radical-chain mechanism initiated by the tert-butylperoxy radical (see Scheme 1). gamma-tert-Butylperoxy ethers are formed as major products in the oxidation of alpha,beta-enones possessing only a single gamma-hydrogen.
• Base induced isomerizations of λ,δ-epoxyketones—II
  作者：Y. Gaoni

  DOI：10.1016/s0040-4020(01)93616-6

  日期：1972.1