2-(7-ethoxy-2-(4-fluorophenyl)-4-oxo-4H-chromen-5-yl)naphthalene-1,4-dione | 1415426-49-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2-(7-ethoxy-2-(4-fluorophenyl)-4-oxo-4H-chromen-5-yl)naphthalene-1,4-dione
• 英文别名: 2-[7-Ethoxy-2-(4-fluorophenyl)-4-oxochromen-5-yl]naphthalene-1,4-dione；2-[7-ethoxy-2-(4-fluorophenyl)-4-oxochromen-5-yl]naphthalene-1,4-dione
• CAS: 1415426-49-1
• 化学式: C₂₇H₁₇FO₅
• 分子量: 440.427
• InChiKey: TWSLXHLATOOUGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-Ethoxy-2-(4-fluorophenyl)chromen-4-one 、 1,4-萘醌 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 silver hexafluoroantimonate 、 copper diacetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以84%的产率得到2-(7-ethoxy-2-(4-fluorophenyl)-4-oxo-4H-chromen-5-yl)naphthalene-1,4-dione
  参考文献：
  名称：

  Rhodium(III)-Catalyzed Direct Oxidative Cross Coupling at the C5 Position of Chromones with Alkenes

  摘要：

  An atom-economical, Rh(III)-catalyzed, direct oxidative cross-coupling at the C5 position of chromones and flavones with a broad range of alkenes was developed. The products were formed in a highly regioselective manner in good to excellent yields. The developed method was applied in the cross-coupling of natural products for the synthesis of hybrid molecules.

  DOI：

  10.1021/ol303067f

文献信息

• Rhodium(III)-Catalyzed Direct Oxidative Cross Coupling at the C5 Position of Chromones with Alkenes
  作者：Rajarshi Samanta、Rishikesh Narayan、Andrey P. Antonchick

  DOI：10.1021/ol303067f

  日期：2012.12.7

  An atom-economical, Rh(III)-catalyzed, direct oxidative cross-coupling at the C5 position of chromones and flavones with a broad range of alkenes was developed. The products were formed in a highly regioselective manner in good to excellent yields. The developed method was applied in the cross-coupling of natural products for the synthesis of hybrid molecules.