2-[4-(3,5-Dimethylphenyl)phenyl]-2-methylpropanenitrile | 1226303-64-5

• 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-(3,5-Dimethylphenyl)phenyl]-2-methylpropanenitrile
• 英文别名: 2-[4-(3,5-dimethylphenyl)phenyl]-2-methylpropanenitrile
• CAS: 1226303-64-5
• 化学式: C₁₈H₁₉N
• 分子量: 249.356
• InChiKey: IQZSIQSDXITTAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-[4-(3,5-Dimethylphenyl)phenyl]-2-methylpropanenitrile 在 碘苯二乙酸 、 silver(I) acetate 、 cesium acetate 、 sodium acetate 、 palladium diacetate 、 potassium hydroxide 作用下， 以 乙二醇 、 氯苯 、 叔丁醇 为溶剂， 反应 16.0h， 生成 6-(3,5-dimethylphenyl)-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 、 3,5-二甲基苯硼酸 在 potassium carbonate 、 palladium dichloride 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 2-[4-(3,5-Dimethylphenyl)phenyl]-2-methylpropanenitrile
  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.