ethyl 6-amino-2-methoxypyridine-3-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 6-amino-2-methoxypyridine-3-carboxylate
• 英文别名: 3-Pyridinecarboxylic acid,6-amino-2-methoxy-,ethyl ester
• 化学式: C₉H₁₂N₂O₃
• 分子量: 196.206
• InChiKey: BAQJKCKEAUITBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-氨基-2-甲氧基-3-甲基-4(3H)-嘧啶酮 、 丙炔酸乙酯 以 1,4-二氧六环 为溶剂， 反应 62.0h， 以48%的产率得到ethyl 6-amino-2-methoxypyridine-3-carboxylate
  参考文献：
  名称：

  Ethyl 6-amino-2-methoxypyridine-3-carboxylate, interplay of molecular and supramolecular structure

  摘要：

  The title compound, C9H12N2O3, crystallizes with two molecules in the asymmetric unit. There is extensive hydrogen bonding which results in the formation of a two-dimensional corrugated sheet. This supramolecular structure is determined by the formation of hydrogen-bonded chains resulting from the presence of a 6-amino group and an ethoxycarbonyl group as substituents on a pyridine ring in relative para positions which constitute a pi -electron `push-pull' system.

  DOI：

  10.1107/s0108270101010228

文献信息

• Ethyl 6-amino-2-methoxypyridine-3-carboxylate, interplay of molecular and supramolecular structure
  作者：Celeste Garcia、Antonio Quesada、Manuel Melguizo、Justo Cobo、Manuel Nogueras、Adolfo Sánchez、Debbie Cannon、John Nicolson Low

  DOI：10.1107/s0108270101010228

  日期：2001.9.15

  The title compound, C9H12N2O3, crystallizes with two molecules in the asymmetric unit. There is extensive hydrogen bonding which results in the formation of a two-dimensional corrugated sheet. This supramolecular structure is determined by the formation of hydrogen-bonded chains resulting from the presence of a 6-amino group and an ethoxycarbonyl group as substituents on a pyridine ring in relative para positions which constitute a pi -electron `push-pull' system.