1α,2α,3β,4α,5α-9-benzyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane-3-carbonitrile | 211428-49-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1α,2α,3β,4α,5α-9-benzyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane-3-carbonitrile
• 英文别名: 1α,2α,3β,4α,5α-9-benzyl-3-morpholino-9-azatricyclo[3.3.1.0^2,4]nonane-3-carbonitrile
• CAS: 211428-49-8
• 化学式: C₂₀H₂₅N₃O
• 分子量: 323.438
• InChiKey: ZBPOVWLAGRKADT-KJFMYELZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  39.5
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1α,2α,3β,4α,5α-9-benzyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane-3-carbonitrile 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以92%的产率得到1α,2α,3β,4α,5α-3-morpholino-9-azatricyclo[3.3.1.0^2,4]nonane-3-carbonitrile
  参考文献：
  名称：

  Plyers-shaped diamines I. 3-endo-Amino-2,4-cyclotropane- and 3-endo-amino-2,4-cyclogranatanecarbonitriles

  摘要：

  3-endo-Amino-2,4-cyclotropane- and 3-endo-amino-2,4-cyclogranatanecarbonitriles could be synthesized from the enamines of tropinone or pseudopelletierines by subsequent reactions with N-chlorosuccinimide and cyanide. Configuration and conformation of the tricyclic unit in the new compounds were determined by H-1 NMR spectroscopy. The plyers-like shape of the diamine unit was confirmed by an X-ray structural analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00382-2
• 作为产物：
  描述：

  氰化钠 、 9-benzyl-4-chloro-3-morpholino-9-azabicyclo[3.3.1]non-2-ene 在 苄基三乙基氯化铵 作用下， 以 水 、 乙腈 为溶剂， 以75%的产率得到1α,2α,3β,4α,5α-9-benzyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane-3-carbonitrile
  参考文献：
  名称：

  Plyers-shaped diamines I. 3-endo-Amino-2,4-cyclotropane- and 3-endo-amino-2,4-cyclogranatanecarbonitriles

  摘要：

  3-endo-Amino-2,4-cyclotropane- and 3-endo-amino-2,4-cyclogranatanecarbonitriles could be synthesized from the enamines of tropinone or pseudopelletierines by subsequent reactions with N-chlorosuccinimide and cyanide. Configuration and conformation of the tricyclic unit in the new compounds were determined by H-1 NMR spectroscopy. The plyers-like shape of the diamine unit was confirmed by an X-ray structural analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00382-2