(S)-2-benzyloxycarbonylamino-4-oxo-4-phenyl-butanoyl azepanine | 221122-72-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-2-benzyloxycarbonylamino-4-oxo-4-phenyl-butanoyl azepanine
• 英文别名: benzyl N-[(2S)-1-(azepan-1-yl)-1,4-dioxo-4-phenylbutan-2-yl]carbamate
• CAS: 221122-72-1
• 化学式: C₂₄H₂₈N₂O₄
• 分子量: 408.497
• InChiKey: UBDCNDHIKAGBEL-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-2-benzyloxycarbonylamino-4-oxo-4-phenyl-butanoyl azepanine 以 二氯甲烷 为溶剂， 以15%的产率得到(1S,3S,10aR)-3-benzyloxycarbonylamino-1-hydroxy-1-phenyl-perhydro-pyrido<1,2-a>azepin-4-one
  参考文献：
  名称：

  Synthesis of ornithine lactams via diastereoselective photocyclization of 2-amino-4-oxo-4-phenyl-butanoyl amines

  摘要：

  The diastereoselective synthesis of ornithine lactams 6-9 via photoinduced E-hydrogen abstraction followed by cyclization of the corresponding 1,6-biradicals is described. A highly asymmetric 1,4-induction is observed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00472-8
• 作为产物：
  描述：

  (S)-2-trifluoroacetylamino-4-oxo-4-phenyl-butanoic acid 在 sodium hydroxide 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 反应 52.25h， 生成 (S)-2-benzyloxycarbonylamino-4-oxo-4-phenyl-butanoyl azepanine
  参考文献：
  名称：

  Synthesis of ornithine lactams via diastereoselective photocyclization of 2-amino-4-oxo-4-phenyl-butanoyl amines

  摘要：

  The diastereoselective synthesis of ornithine lactams 6-9 via photoinduced E-hydrogen abstraction followed by cyclization of the corresponding 1,6-biradicals is described. A highly asymmetric 1,4-induction is observed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(98)00472-8

文献信息

• Synthesis of ornithine lactams via diastereoselective photocyclization of 2-amino-4-oxo-4-phenyl-butanoyl amines
  作者：Ute Lindemann、Dirk Wulff-Molder、Pablo Wessig

  DOI：10.1016/s0957-4166(98)00472-8

  日期：1998.12

  The diastereoselective synthesis of ornithine lactams 6-9 via photoinduced E-hydrogen abstraction followed by cyclization of the corresponding 1,6-biradicals is described. A highly asymmetric 1,4-induction is observed. (C) 1998 Elsevier Science Ltd. All rights reserved.