4'-hexanoylbiphenyl-4-carbon | 1269913-69-0

• 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'-hexanoylbiphenyl-4-carbon
• 英文别名: 4-(4-Hexanoylphenyl)benzonitrile；4-(4-hexanoylphenyl)benzonitrile
• CAS: 1269913-69-0
• 化学式: C₁₉H₁₉NO
• 分子量: 277.366
• InChiKey: SYQXWSYQABEEIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  potassium [4-(1-hydroxyhexyl)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'-hexanoylbiphenyl-4-carbon
  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

文献信息

• An Efficient<i>α</i>-Alkylation of Aromatic Ketones with Primary Alcohols Catalyzed by [Cp∗︁IrCl₂]₂without Solvent
  作者：Jian Li、Weixing Zhang、Feng Wang、Min Jiang、Xiaochun Dong、Weili Zhao

  DOI：10.1002/cjoc.201200524

  日期：2012.10

  presence of catalytic amount of KOH and [Cp∗︁IrCl2]2 (Cp∗︁=pentamethylcyclopentadienyl) catalyst. The reaction is carried out in the absence of any solvent or additive, which generates only water as the byproduct in theory. It is very efficient and generally completed in 10 min in good isolated yields. The reaction is believed to undergo successive hydrogen transfer and cross aldol condensation processes

  芳族酮在直接烷基化的α中的KOH催化量的存在下与伯醇的位置在110℃和混合[CP *︁IrCl 2 ] 2（CP *︁=五甲基环戊二烯）催化剂。反应在没有任何溶剂或添加剂的情况下进行，理论上仅产生水作为副产物。它非常有效，通常可以在10分钟内以良好的分离产率完成。据信该反应经历了连续的氢转移和交叉的羟醛缩合过程。