ethyl 7-methyl-3-(1-propylvinyl)-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carboxylate | 1200337-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧氮杂卓类
• 英文名称: ethyl 7-methyl-3-(1-propylvinyl)-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carboxylate
• 英文别名: ethyl 7-methyl-3-pent-1-en-2-yl-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carboxylate
• CAS: 1200337-03-6
• 化学式: C₁₈H₂₇NO₃
• 分子量: 305.417
• InChiKey: ZYWJWYJAYMHDBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-甲基马来酰亚胺 、 ethyl 7-methyl-3-(1-propylvinyl)-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carboxylate 以 苯 为溶剂， 反应 24.0h， 以96%的产率得到ethyl (1R,8S,14R,18S)-4,16-dimethyl-15,17-dioxo-12-propyl-9-oxa-3,16-diazatetracyclo[9.7.0.03,8.014,18]octadeca-4,11-diene-5-carboxylate
  参考文献：
  名称：

  Efficient Generation of Highly Functionalized Fused Oxazepine Frameworks Based on a CAN-Catalyzed Four-Component Tetrahydropyridine Synthesis/Ring-Closing Metathesis Sequence

  摘要：

  1-Allyl(propargyl)-6-allyl(propargyl)oxy-1,4,5,6-tetrahydropyridines, obtained through a CAN-catalyzed four-component reaction, were transformed into highly functionalized pyrido[2,1-b]-[1,3]oxazepines by ring-closing metathesis (RCM) and ring-closing enyne metathesis (RCEYM) processes, which constitute the first examples of the preparation of 1,3-oxazepine systems using metathesis reactions.

  DOI：

  10.1021/jo9021309
• 作为产物：
  描述：

  ethyl 1-allyl-6-(hex-2-ynyloxy)-2-methyl-1,4,5,6-tetrahydropyridine-3-carboxylate 在 Grubbs catalyst first generation 、 乙烯 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以91%的产率得到ethyl 7-methyl-3-(1-propylvinyl)-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carboxylate
  参考文献：
  名称：

  Efficient Generation of Highly Functionalized Fused Oxazepine Frameworks Based on a CAN-Catalyzed Four-Component Tetrahydropyridine Synthesis/Ring-Closing Metathesis Sequence

  摘要：

  1-Allyl(propargyl)-6-allyl(propargyl)oxy-1,4,5,6-tetrahydropyridines, obtained through a CAN-catalyzed four-component reaction, were transformed into highly functionalized pyrido[2,1-b]-[1,3]oxazepines by ring-closing metathesis (RCM) and ring-closing enyne metathesis (RCEYM) processes, which constitute the first examples of the preparation of 1,3-oxazepine systems using metathesis reactions.

  DOI：

  10.1021/jo9021309