3-(5-methylthiophen-2-yl)-N-phenylisonicotinamide | 1522464-88-5

• 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: 3-(5-methylthiophen-2-yl)-N-phenylisonicotinamide
• 英文别名: 3-(5-methylthiophen-2-yl)-N-phenylpyridine-4-carboxamide
• CAS: 1522464-88-5
• 化学式: C₁₇H₁₄N₂OS
• 分子量: 294.377
• InChiKey: MRTRDNGLRGZTSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲基噻吩 、 异烟酰苯胺 在 dipotassium hydrogenphosphate 、 silver hexafluoroantimonate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以70%的产率得到3-(5-methylthiophen-2-yl)-N-phenylisonicotinamide
  参考文献：
  名称：

  Rh(III)-Catalyzed Amide-Directed Cross-Dehydrogenative Heteroarylation of Pyridines

  摘要：

  A new catalytic methodology has been developed for the synthesis of heteroaryled pyridines via a rhodium(III)-catalyzed dehydrogenative cross-coupling reaction. This protocol features a good substrate scope with a broad range of functional group tolerance and high regioselectivity of the pyridyl C-H activation.

  DOI：

  10.1021/ol403311b

文献信息

• Rh(III)-Catalyzed Amide-Directed Cross-Dehydrogenative Heteroarylation of Pyridines
  作者：Yaping Shang、Xiaoming Jie、Huaiqing Zhao、Peng Hu、Weiping Su

  DOI：10.1021/ol403311b

  日期：2014.1.17

  A new catalytic methodology has been developed for the synthesis of heteroaryled pyridines via a rhodium(III)-catalyzed dehydrogenative cross-coupling reaction. This protocol features a good substrate scope with a broad range of functional group tolerance and high regioselectivity of the pyridyl C-H activation.