methyl 3',7'-dihydroxy-7'-methyl-4'-oxo-7',8'-dihydro-4'H,6'Hspiro[cyclohexane-1,9'-pyrido[1,2-a]pyrimidine]-2'-carboxylate | 1174070-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: methyl 3',7'-dihydroxy-7'-methyl-4'-oxo-7',8'-dihydro-4'H,6'Hspiro[cyclohexane-1,9'-pyrido[1,2-a]pyrimidine]-2'-carboxylate
• 英文别名: Methyl 3,7-dihydroxy-7-methyl-4-oxospiro[6,8-dihydropyrido[1,2-a]pyrimidine-9,1'-cyclohexane]-2-carboxylate；methyl 3,7-dihydroxy-7-methyl-4-oxospiro[6,8-dihydropyrido[1,2-a]pyrimidine-9,1'-cyclohexane]-2-carboxylate
• CAS: 1174070-10-0
• 化学式: C₁₆H₂₂N₂O₅
• 分子量: 322.361
• InChiKey: ABGUXVPRRJCTJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  99.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 6'-hydroxy-2'-(2-methoxy-2-oxoethyl)-6'-methyl-6',7'-dihydro-2'H,5'Hspiro[cyclohexane-1,8'-[1,2,4]oxadiazolo[2,3-a]pyridine]-2'-carboxylate 以 甲苯 为溶剂， 反应 48.0h， 以32%的产率得到methyl 3',7'-dihydroxy-7'-methyl-4'-oxo-7',8'-dihydro-4'H,6'Hspiro[cyclohexane-1,9'-pyrido[1,2-a]pyrimidine]-2'-carboxylate
  参考文献：
  名称：

  A Cascade Approach to Cyclic Aminonitrones: Reaction Discovery, Mechanism, and Scope

  摘要：

  Treatment of omega-epoxynitriles with hydroxylamine affords cyclic aminonitrones in a single step and with high stereoselectivity. The scope of this novel transformation was explored in a series of examples. The aminonitrone products were shown to be useful substrates for further selective elaboration.

  DOI：

  10.1021/ol9010147