5-methyl-4'-nitrobiphenyl-2-carbonitrile | 1268823-45-5

• 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: 5-methyl-4'-nitrobiphenyl-2-carbonitrile
• 英文别名: 4-Methyl-2-(4-nitrophenyl)benzonitrile；4-methyl-2-(4-nitrophenyl)benzonitrile
• CAS: 1268823-45-5
• 化学式: C₁₄H₁₀N₂O₂
• 分子量: 238.246
• InChiKey: DZEUAGIJGXAIBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-硝基碘苯 、 对甲苯腈 在 palladium diacetate 、 silver(l) oxide 作用下， 以 三氟乙酸 为溶剂， 反应 9.0h， 以91%的产率得到5-methyl-4'-nitrobiphenyl-2-carbonitrile
  参考文献：
  名称：

  Synthesis of Biphenyl-2-carbonitrile Derivatives via a Palladium-Catalyzed sp² C−H Bond Activation Using Cyano as a Directing Group

  摘要：

  Pd-II-catalyzed aromatic C-H bond activation using cyano as a directing group was carried out in TFA medium. Biphenyl-2-carbonitrile derivatives were therefore synthesized from aryl nitriles and aryl halides in moderate to good yields.

  DOI：

  10.1021/ol103075n

文献信息

• Synthesis of Biphenyl-2-carbonitrile Derivatives via a Palladium-Catalyzed sp² C−H Bond Activation Using Cyano as a Directing Group
  作者：Wu Li、Zhipeng Xu、Peipei Sun、Xiaoqing Jiang、Min Fang

  DOI：10.1021/ol103075n

  日期：2011.3.18

  Pd-II-catalyzed aromatic C-H bond activation using cyano as a directing group was carried out in TFA medium. Biphenyl-2-carbonitrile derivatives were therefore synthesized from aryl nitriles and aryl halides in moderate to good yields.