methyl 7-phenyl-5-methyl-2,3,7,8-tetrahydro-7H-oxazolo<3,2-a>pyridin-6-carboxylate | 136814-32-9

• 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: methyl 7-phenyl-5-methyl-2,3,7,8-tetrahydro-7H-oxazolo<3,2-a>pyridin-6-carboxylate
• 英文别名: methyl (7R,8aS)-5-methyl-7-phenyl-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carboxylate
• CAS: 136814-32-9
• 化学式: C₁₆H₁₉NO₃
• 分子量: 273.332
• InChiKey: AOCZIBWTJRPJPB-KGLIPLIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙酰乙酸甲酯 以 甲醇 为溶剂， 反应 48.0h， 生成 methyl 7-phenyl-5-methyl-2,3,7,8-tetrahydro-7H-oxazolo<3,2-a>pyridin-6-carboxylate
  参考文献：
  名称：

  2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridine: A new heterocyclic system

  摘要：

  Compounds with the previously unreported skeleton of 2,3,8,8a-tetrahydro-7H-oxazolo [3,2-a]pyridine were prepared by reactions between alpha,beta-unsaturated ketones or aldehydes and N-hydroxyethylenamines of acetoacetate esters. Other compounds like 1,4-dihydropyridines, aminocyclohexene and cyclohexadiene derivatives were also formed as minor products.

  DOI：

  10.1016/s0040-4020(01)86577-7