tert-butyl 2-[2-[(4aS,10aR)-6-methoxy-2,3,4,10a-tetrahydro-1H-phenanthren-4a-yl]ethyl-methylamino]acetate | 692728-19-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: tert-butyl 2-[2-[(4aS,10aR)-6-methoxy-2,3,4,10a-tetrahydro-1H-phenanthren-4a-yl]ethyl-methylamino]acetate
• CAS: 692728-19-1
• 化学式: C₂₄H₃₅NO₃
• 分子量: 385.547
• InChiKey: KTKNETNTEKOJRC-DVECYGJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  tert-butyl 2-[2-[(4aS,10aR)-6-methoxy-2,3,4,10a-tetrahydro-1H-phenanthren-4a-yl]ethyl-methylamino]acetate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthesis of potent sigma-1 receptor ligands via fragmentation of dextromethorphan

  摘要：

  Treatment of dextromethorphan 1 with various alkylating agents followed by base treatment led to Hoffman-type elimination reactions to produce a series of tricyclic derivatives, 6. These derivatives were characterized in vitro as sigma-1 receptor ligands. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.105
• 作为产物：
  描述：

  右美沙芬 生成 tert-butyl 2-[2-[(4aS,10aR)-6-methoxy-2,3,4,10a-tetrahydro-1H-phenanthren-4a-yl]ethyl-methylamino]acetate
  参考文献：
  名称：

  Synthesis of potent sigma-1 receptor ligands via fragmentation of dextromethorphan

  摘要：

  Treatment of dextromethorphan 1 with various alkylating agents followed by base treatment led to Hoffman-type elimination reactions to produce a series of tricyclic derivatives, 6. These derivatives were characterized in vitro as sigma-1 receptor ligands. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.105