methyl 2-oxo-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline-6-carboxylate | 1075735-36-2

• 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: methyl 2-oxo-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline-6-carboxylate
• CAS: 1075735-36-2
• 化学式: C₁₀H₁₄N₂O₃
• 分子量: 210.233
• InChiKey: RLRTWMNLLJJPJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-diaminocyclohexanecarboxylic acid methyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 以 异丙醇 、 甲苯 为溶剂， 反应 48.0h， 生成 methyl 2-oxo-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline-6-carboxylate 、 methyl 3-oxo-4a,5,6,7,8,8a-hexahydro-4H-quinoxaline-6-carboxylate
  参考文献：
  名称：

  Imines that React with Phenols in Water over a Wide pH Range

  摘要：

  Cyclic imine derivatives that react with phenols, including tyrosine residues of peptides, have been developed. Reactions of the imines with phenols proceeded in water over a wide pH range (pH 2-10) at room temperature to 37 degrees C and afforded Mannich products without the need of additional catalysts.

  DOI：

  10.1021/jo8017389