methyl 2-(benzylamino)isonicotinate | 1532962-26-7

• 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: methyl 2-(benzylamino)isonicotinate
• 英文别名: Methyl 2-(benzylamino)pyridine-4-carboxylate；methyl 2-(benzylamino)pyridine-4-carboxylate
• CAS: 1532962-26-7
• 化学式: C₁₄H₁₄N₂O₂
• 分子量: 242.277
• InChiKey: KIFWSNYWZXLBAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.22
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以21 mg的产率得到methyl 2-(benzylamino)isonicotinate
  参考文献：
  名称：

  2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides

  摘要：

  A practical and efficient method for the synthesis of substituted 2-aminopyridines from pyridine N-oxides is reported. Yields of purified, isolated products of up to 84% are observed for the one-pot, two-step process. The reaction involves an in situ deprotection of an isolable N-formylaminopyridine intermediate and facilitates the synthesis of 2-aminopyridines for which other methods fail.

  DOI：

  10.1021/jo402693s

文献信息

• 2-Aminopyridines via Reaction of Pyridine <i>N</i>-Oxides and Activated Isocyanides
  作者：Mitchell Vamos、Nicholas D. P. Cosford

  DOI：10.1021/jo402693s

  日期：2014.3.7

  A practical and efficient method for the synthesis of substituted 2-aminopyridines from pyridine N-oxides is reported. Yields of purified, isolated products of up to 84% are observed for the one-pot, two-step process. The reaction involves an in situ deprotection of an isolable N-formylaminopyridine intermediate and facilitates the synthesis of 2-aminopyridines for which other methods fail.