2-(3-oxo-4-phenylbutyl)cyclohexa-2,5-diene-1,4-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-oxo-4-phenylbutyl)cyclohexa-2,5-diene-1,4-dione
• 英文别名: 2-(3-Oxo-4-phenylbutyl)cyclohexa-2,5-diene-1,4-dione
• 化学式: C₁₆H₁₄O₃
• 分子量: 254.285
• InChiKey: OBXWBIXCLRVJFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯乙酸甲酯 在 dipotassium peroxodisulfate 、 titanium(IV)isopropoxide 、 silver nitrate 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 1.25h， 生成 2-(3-oxo-4-phenylbutyl)cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  γ-Carbonyl Quinones: Radical Strategy for the Synthesis of Evelynin and Its Analogues by C–H Activation of Quinones Using Cyclopropanols

  摘要：

  Cyclopropanols, on oxidative ring opening with AgNO3-K2S2O8 in DCM-H2O at room temperature and under open flask conditions, produced beta-keto radicals which were successfully added to quinones to furnish gamma-carbonyl quinones. This mild method has been applied to the synthesis of cytotoxic natural products, 4,6-dimethoxy-2,5-quinodihydrochalcone and evelynin.

  DOI：

  10.1021/ol402229m

文献信息

• γ-Carbonyl Quinones: Radical Strategy for the Synthesis of Evelynin and Its Analogues by C–H Activation of Quinones Using Cyclopropanols
  作者：Andivelu Ilangovan、Shanmugasundar Saravanakumar、Subramani Malayappasamy

  DOI：10.1021/ol402229m

  日期：2013.10.4

  Cyclopropanols, on oxidative ring opening with AgNO3-K2S2O8 in DCM-H2O at room temperature and under open flask conditions, produced beta-keto radicals which were successfully added to quinones to furnish gamma-carbonyl quinones. This mild method has been applied to the synthesis of cytotoxic natural products, 4,6-dimethoxy-2,5-quinodihydrochalcone and evelynin.