2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid | 1225924-54-8

• 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: 2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid
• 英文别名: 2-Methyl-2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)propanoic acid；2-methyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
• CAS: 1225924-54-8
• 化学式: C₁₇H₁₅F₃O₂
• 分子量: 308.3
• InChiKey: DYXPJCQOKUFPBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid 在 碘苯二乙酸 、 silver(I) acetate 、 cesium acetate 、 sodium acetate 、 palladium diacetate 作用下， 以 氯苯 、 叔丁醇 为溶剂， 反应 12.0h， 以89%的产率得到6-(4-(trifluoromethyl)phenyl)-3,3-dimethylbenzofuran-2(3H)-one
  参考文献：
  名称：

  Direct Lactonization of 2-Arylacetic Acids through Pd(II)-Catalyzed C–H Activation/C–O Formation

  摘要：

  Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.

  DOI：

  10.1021/ol303569b
• 作为产物：
  描述：

  2-(4-溴苯基)-2-甲基丙腈 在 potassium carbonate 、 potassium hydroxide 、 palladium dichloride 作用下， 以 乙醇 、 乙二醇 为溶剂， 反应 4.5h， 生成 2-(4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-2-methylpropanoic acid
  参考文献：
  名称：

  Direct Lactonization of 2-Arylacetic Acids through Pd(II)-Catalyzed C–H Activation/C–O Formation

  摘要：

  Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.

  DOI：

  10.1021/ol303569b

文献信息

• Direct Lactonization of 2-Arylacetic Acids through Pd(II)-Catalyzed C–H Activation/C–O Formation
  作者：Mingyu Yang、Xingyu Jiang、Wen-Juan Shi、Qi-Lei Zhu、Zhang-Jie Shi

  DOI：10.1021/ol303569b

  日期：2013.2.1

  Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.