4'-(4-methoxybenzoyl)biphenyl-4-carbonitrile | 1269913-64-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-(4-methoxybenzoyl)biphenyl-4-carbonitrile
• 英文别名: 4-[4-(4-Methoxybenzoyl)phenyl]benzonitrile；4-[4-(4-methoxybenzoyl)phenyl]benzonitrile
• CAS: 1269913-64-5
• 化学式: C₂₁H₁₅NO₂
• 分子量: 313.356
• InChiKey: RTYJPGULQCCQOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  potassium [4-(hydroxy(4-methoxyphenyl)methyl)phenyl]trifluoroborate 在 chromium(VI) oxide 、 四(三苯基膦)钯 、 硫酸 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 、 丙酮 为溶剂， 反应 1.17h， 生成 4'-(4-methoxybenzoyl)biphenyl-4-carbonitrile
  参考文献：
  名称：

  One-pot preparation of hydroxylated potassium organotrifluoroborates and subsequent Jones oxidation to potassium organocarbonyltrifluoroborates

  摘要：

  Alcohol-containing potassium organotrifluoroborates as starting reagents were prepared from their corresponding dibromobenzenes through a sequential one-pot reaction. The oxidation reactions of these substrates, which were carried out using 3.0 equiv of 8 N Jones reagent in acetone at 0 degrees C, provided a high yield of the desired carbonyl-functionalized compounds. In addition, the cross-coupling reactions of these organocarbonyltrifluoroborates were successfully performed in the presence of 3 mol % of Pd (PPh3)(4) catalyst at 100 degrees C. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.049