(S)-1-(1-phenylallyl)azepane | 1562996-54-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: (S)-1-(1-phenylallyl)azepane
• 英文别名: 1-[(1S)-1-phenylprop-2-enyl]azepane
• CAS: 1562996-54-6
• 化学式: C₁₅H₂₁N
• 分子量: 215.338
• InChiKey: GCKRRBDSVVLDSA-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环己亚胺 、 alpha-乙烯基苄基乙酸酯 在 ruthenium trichloride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 (S,S)-2,6-双(4-异丙基-2-恶唑啉-2-基)吡啶 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以82%的产率得到
  参考文献：
  名称：

  Ruthenium-Catalyzed Regio- and Enantioselective Allylic Amination of Racemic 1-Arylallyl Esters

  摘要：

  The regio- and enantioselective allylic amination of racemic monosubstituted allylic esters, such as 1-arylallyl acetates, with cyclic secondary amines has been accomplished. The RuCl3/(S,S)-ip-pybox catalyst system has effectively catalyzed the reaction to afford the enantiomerically enriched branch-type allylic amines with perfect regioselectivity and high enantioselectivity.

  DOI：

  10.1021/ol5002768

文献信息

• Ruthenium-Catalyzed Regio- and Enantioselective Allylic Amination of Racemic 1-Arylallyl Esters
  作者：Motoi Kawatsura、Kenta Uchida、Shou Terasaki、Hiroaki Tsuji、Maki Minakawa、Toshiyuki Itoh

  DOI：10.1021/ol5002768

  日期：2014.3.7

  The regio- and enantioselective allylic amination of racemic monosubstituted allylic esters, such as 1-arylallyl acetates, with cyclic secondary amines has been accomplished. The RuCl3/(S,S)-ip-pybox catalyst system has effectively catalyzed the reaction to afford the enantiomerically enriched branch-type allylic amines with perfect regioselectivity and high enantioselectivity.