2-(3,4-dihydroxyphenyl)-2-methylcyclopentane-1,3-dione | 1262149-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(3,4-dihydroxyphenyl)-2-methylcyclopentane-1,3-dione
• CAS: 1262149-43-8
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.225
• InChiKey: NBWLPNITBKACSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲基-1,3-环戊二酮 、 邻苯二酚 以 乙腈 为溶剂， 以79%的产率得到2-(3,4-dihydroxyphenyl)-2-methylcyclopentane-1,3-dione
  参考文献：
  名称：

  Electrochemical behavior of catechol in the presence of 2-methyl-1,3-cyclopentanedione: application to electrosynthesis

  摘要：

  Electro-oxidation of catechol in the presence of 2-methyl-1,3-cyclopentanedione as a nucleophile was investigated in water-acetonitrile (90:10 nu/nu) solution. The results indicate that the o-benzoquinone electrogenerated participates in a Michael addition reaction with this nucleophile. The electrosynthesis of 2-(3,4-dihydroxyphenyl)-2- methylcyclopentane-1,3-dione was carried out. The product was characterized by NMR, MS, FT-IR, and elemental analysis. An EC mechanism was deduced from voltammetric and spectroscopic data. Also, the Michael addition reaction rate constant (k(m)) was estimated using digital simulation of voltammograms.

  DOI：

  10.1007/s00706-008-0080-8