ethyl 7-(3-chlorophenyl)-5,8a-dimethyl-8-methoxycarbonyl-2,3,8,8a-tetrahydro-7H-oxazolo<3,2-a>pyridin-6-carboxylate | 136814-26-1

• 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: ethyl 7-(3-chlorophenyl)-5,8a-dimethyl-8-methoxycarbonyl-2,3,8,8a-tetrahydro-7H-oxazolo<3,2-a>pyridin-6-carboxylate
• 英文别名: ethyl 7-(3-chlorophenyl)-5,8a-dimethyl-8-methoxycarbonyl-2,3,7,8-tetrahydro-7H-oxazolo<3,2-a>pyridin-6-carboxylate
• CAS: 136814-26-1
• 化学式: C₂₀H₂₄ClNO₅
• 分子量: 393.867
• InChiKey: SXTPDZQSMBLNMP-ABSDTBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 以 甲醇 为溶剂， 反应 48.0h， 生成 ethyl 7-(3-chlorophenyl)-5,8a-dimethyl-8-methoxycarbonyl-2,3,8,8a-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

文献信息

• Regiochemistry in the synthesis of 2,3,8,8a-tetrahydro-7H-oxazolo[3,2-a]pyridines
  作者：Esther Caballero、Pilar Puebla、Manuel Medarde、Arturo San Feliciano

  DOI：10.1016/s0040-4020(01)80203-9

  日期：1993.1

  The regiochemistry of the reaction between N-hydroxyethyl-enamines and alpha,beta-unsaturated carbonyls and carboxylic esters is discussed. The structure of the 2,3,8,8a-tetrahydro-7H-oxazolo[3,2-a]pyridines obtained by this methodology depends on the substituents at the beta-position of the alpha,beta-unsaturated reagent.