2,4-Bis(4-methylphenyl)pentan-3-one | 1200433-66-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,4-Bis(4-methylphenyl)pentan-3-one
• CAS: 1200433-66-4
• 化学式: C₁₉H₂₂O
• 分子量: 266.383
• InChiKey: YFCSLOSDCAMOBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  对氯甲苯 、 3-戊酮 在 NHC-Pd(II)-Im 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以20%的产率得到2-(p-tolyl)pentan-3-one
  参考文献：
  名称：

  N -Heterocyclic carbene-palladium(II)-1-methylimidazole complex catalyzed α-arylation of symmetric dialkyl ketones with aryl chlorides

  摘要：

  N-Heterocyclic carbene-palladium(II)-1-methylimidazole [NHC-Pd(II)-Im] complex 1 showed efficient catalytic activity toward alpha-arylation of symmetric dialkyl ketones under mild conditions. It was found that the ratio of aryl chlorides and ketones drastically affected the reaction. When the ratio of aryl chlorides and ketones was 1:2, mono-arylated products can be obtained in good to high yields as the sole; while that of aryl chlorides and ketones was changed to 1:0.7, di- and mono-arylated products were obtained in good to high total yields at the same time, with the former as the major. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.07.061

文献信息

• Synthesis of 1,3-diketones through ring-opening of ketoketene dimer β-lactones
  作者：Ahmad A. Ibrahim、Stephen M. Smith、Sarah Henson、Nessan J. Kerrigan

  DOI：10.1016/j.tetlet.2009.09.158

  日期：2009.12

  The reaction of ketoketene dimers with organolithium reagents afforded 1,3-diketones in good to excellent yields, and with good diastereoselectivity in some cases.

  酮丁烯二聚体与有机锂试剂的反应可提供1,3-二酮，收率好至极好，在某些情况下具有良好的非对映选择性。