tert-butyl 5-(2-aminophenyl)-2,3,4,5-tetrahydro-1H-azpine-1-carboxylate | 1507378-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: tert-butyl 5-(2-aminophenyl)-2,3,4,5-tetrahydro-1H-azpine-1-carboxylate
• CAS: 1507378-72-4
• 化学式: C₁₇H₂₄N₂O₂
• 分子量: 288.39
• InChiKey: RMKKDQSLIFXWCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55.56
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 5-(2-aminophenyl)-2,3,4,5-tetrahydro-1H-azpine-1-carboxylate 在 lithium perchlorate 、 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 13.5h， 生成 tert-butyl 6-(2-(tert-butoxycarbonylamino)phenyl)-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate
  参考文献：
  名称：

  Radical [3 + 2]-Annulation of Divinylcyclopropanes: Rapid Synthesis of Complex Meloscine Analogs

  摘要：

  A radical [3 + 2]-divinylcyclopropane annulation cascade has been extended to encompass five D-ring variants of the meloscine/epimeloscine core structure. Representative ABCD tetracyclic intermediates were further elaborated with novel substituted E-rings through subsequent transformations of advanced intermediates that provided opportunities for late-stage variation of the B-ring (lactam) N-substituents which were also developed.

  DOI：

  10.1021/ol403078e
• 作为产物：
  描述：

  在 barium hydroxide octahydrate 、 palladium diacetate 、 三氟乙酸 、 2-(二环己基膦基)联苯 作用下， 以 甲苯 为溶剂， 反应 0.17h， 生成 tert-butyl 5-(2-aminophenyl)-2,3,4,5-tetrahydro-1H-azpine-1-carboxylate
  参考文献：
  名称：

  Radical [3 + 2]-Annulation of Divinylcyclopropanes: Rapid Synthesis of Complex Meloscine Analogs

  摘要：

  A radical [3 + 2]-divinylcyclopropane annulation cascade has been extended to encompass five D-ring variants of the meloscine/epimeloscine core structure. Representative ABCD tetracyclic intermediates were further elaborated with novel substituted E-rings through subsequent transformations of advanced intermediates that provided opportunities for late-stage variation of the B-ring (lactam) N-substituents which were also developed.

  DOI：

  10.1021/ol403078e