2-(5-(trifluoromethyl)pyridine-2-yl)piperidine-1-carboxylic acid tert-butyl ester | 1526912-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-(5-(trifluoromethyl)pyridine-2-yl)piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: 2-(5-(trifluoromethyl)pyridin-2-yl)piperidine-1-carboxylic acid tert-butyl ester；Tert-butyl 2-[5-(trifluoromethyl)pyridin-2-yl]piperidine-1-carboxylate；tert-butyl 2-[5-(trifluoromethyl)pyridin-2-yl]piperidine-1-carboxylate
• CAS: 1526912-83-3
• 化学式: C₁₆H₂₁F₃N₂O₂
• 分子量: 330.35
• InChiKey: BDFMSJPLDUBQCE-UHFFFAOYSA-N

物化性质

• 沸点：
  389.4±42.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  42.43
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  5'-trifluoromethyl-5,6-dihydro-[2,2'-bipyridine]-1(4H)-carboxylic acid tert-butyl ester 在 palladium 10% on activated carbon 、 ammonium formate 作用下， 以 乙醇 为溶剂， 以138 mg的产率得到2-(5-(trifluoromethyl)pyridine-2-yl)piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Expedient Synthesis of α-Heteroaryl Piperidines Using a Pd-Catalyzed Suzuki Cross-Coupling–Reduction Sequence

  摘要：

  A method for the modular synthesis of alpha-heteroaryl piperidines is reported. The two-step procedure consists of an initial Pd-catalyzed Suzuki cross-coupling of the heteroaryl bromide with a boronate ester derived from N-Boc piperidone, followed by subsequent tetrahydropyridine reduction. Using this method, alpha-heteroaryl piperidine products featuring a broad range of pharmaceutically relevant azine and diazine substitutions have been prepared.

  DOI：

  10.1021/ol403367b