3-(2,6-dimethoxyphenyl)-1-(4-(trifluoromethyl)phenyl)propan-1-one | 1431732-00-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-(2,6-dimethoxyphenyl)-1-(4-(trifluoromethyl)phenyl)propan-1-one
• 英文别名: 3-(2,6-Dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one；3-(2,6-dimethoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
• CAS: 1431732-00-1
• 化学式: C₁₈H₁₇F₃O₃
• 分子量: 338.326
• InChiKey: ZWMJKKRCWKXOEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,6-二甲氧基苯甲酸 、 1-(4'-(trifluoromethyl)phenyl)-allylalcohol 在 palladium(II) trifluoroacetate 、 silver carbonate 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 以85%的产率得到3-(2,6-dimethoxyphenyl)-1-(4-(trifluoromethyl)phenyl)propan-1-one
  参考文献：
  名称：

  Highly Selective β-Hydride Elimination in Pd-Catalyzed Decarboxylative Heck-Type Reaction

  摘要：

  A variety of beta-aryl ketones and aldehydes were facilely synthesized via a Pd(II)/Ag2CO3-mediated decarboxylative Heck type reaction between readily available benzoic acid derivatives and allylic alcohols under mild conditions. The control experiments indicated that this transformation may proceed via a hydrogen migration process.

  DOI：

  10.1021/ol400818v

文献信息

• Highly Selective β-Hydride Elimination in Pd-Catalyzed Decarboxylative Heck-Type Reaction
  作者：Liangbin Huang、Ji Qi、Xia Wu、Kefan Huang、Huanfeng Jiang

  DOI：10.1021/ol400818v

  日期：2013.5.17

  A variety of beta-aryl ketones and aldehydes were facilely synthesized via a Pd(II)/Ag2CO3-mediated decarboxylative Heck type reaction between readily available benzoic acid derivatives and allylic alcohols under mild conditions. The control experiments indicated that this transformation may proceed via a hydrogen migration process.