2-(3-Methoxy-phenyl)-pentan-3-one | 38463-03-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-Methoxy-phenyl)-pentan-3-one
• 英文别名: 2-(3-Methoxyphenyl)pentan-3-one；2-(3-methoxyphenyl)pentan-3-one
• CAS: 38463-03-5
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: GOMICFXDZKVKCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氯苯甲醚 、 3-戊酮 在 NHC-Pd(II)-Im 、 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以90%的产率得到2-(3-Methoxy-phenyl)-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

• Caubere,P.; Hochu,M.-F., Bulletin de la Societe Chimique de France, 1969, p. 2854 - 2863
  作者：Caubere,P.、Hochu,M.-F.

  DOI：——

  日期：——
• N -Heterocyclic carbene-palladium(II)-1-methylimidazole complex catalyzed α-arylation of symmetric dialkyl ketones with aryl chlorides
  作者：Zheng-Kang Xiao、Hui-Ying Yin、Jian-Mei Lu

  DOI：10.1016/j.ica.2014.07.061

  日期：2014.11

  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.