2,6-bis(1-p-triflurophenyl-5-phenyl-1H-pyrazol-3-yl)pyridine | 1415684-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,6-bis(1-p-triflurophenyl-5-phenyl-1H-pyrazol-3-yl)pyridine
• 英文别名: 2,6-Bis[5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine；2,6-bis[5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
• CAS: 1415684-56-8
• 化学式: C₃₇H₂₃F₆N₅
• 分子量: 651.614
• InChiKey: BEKDWMHKGZVFFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,6-bis(3'-phenyl-1',3'-dioxopropyl)pyridine 、 4-(三氟甲基)苯肼 在 溶剂黄146 作用下， 以26%的产率得到2,6-bis(1-p-triflurophenyl-5-phenyl-1H-pyrazol-3-yl)pyridine
  参考文献：
  名称：

  PdCl2-2,6-bis(1,5-diphenyl-1H-pyrazol-3-yl)pyridine catalyzed Suzuki–Miyaura cross-coupling

  摘要：

  Six multidentate nitrogen ligands, 2,6-bis(1,5-diphenyl-1H-pyrazol-3-yl)pyridine (L1), 2,6-bis(1-methyl-5-phenyl-1H-pyrazol-3-yl)pyridine (L2), 2,6-bis(1,5-dimethyl-1H-pyrazol-3-yl)pyridine (13), 2,6-bis(5-phenyl-1H-pyrazol-3-yl)pyridine (L4), 2,6-bis(1-p-triflurophenyl-5-phenyl-1H-pyrazol-3-yl)pyridine (L5), and 2,6-bis(1-m-methylphenyl-5-phenyl-1H-pyrazol-3-yl)pyridine (16) were synthesized and characterized. Their palladium complexes catalyzed Suzuki-Miyaura cross-coupling revealed that the catalytic activities of these complexes were in the order of PdCl2-L5>PdCl2-L1>PdCl2-L6>PdCl2-L2>PdCl2-L3>PdCl2-L4. With a low Pd loading of 10(-5) mol%, PdCl2-L1 showed a high activity. The turnover numbers (TONs) were up to 58,000,000 for 4-bromobenzotrifluoride. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2012.10.009