1α,2α,3β,4α,5α-9-methyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane | 211487-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1α,2α,3β,4α,5α-9-methyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane
• 英文别名: 1α,2α,3β,4α,5α-9-methyl-3-morpholino-9-azatricyclo[3.3.1.0^2,4]nonane
• CAS: 211487-13-7
• 化学式: C₁₃H₂₂N₂O
• 分子量: 222.33
• InChiKey: MVHISOHAWNGHOJ-FOPUMGAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.71
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1α,2α,3β,4α,5α-9-methyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane 在 氧气 作用下， 反应 24.0h， 以78%的产率得到1α,2α,3β,4α,5α-9-formyl-3-morpholino-9-azatricyclo[3.3.1.0^2,4]nonane
  参考文献：
  名称：

  Plyers-shaped diamines II. 3-Amino-2,4-cyclogranatane diastereomers — A study of influence of structure on the properties of diamines

  摘要：

  3-Amino-2,4-cyclogranatane 3 beta- and 3 alpha-diastereomers can be synthesized from the corresponding 3 beta-carbonitriles by a kinetically and a thermodynamically controlled reductive decyanation, respectively. Comparison of both diastereomers with respect to basicity, ionization potentials and behaviour towards oxygen demonstrates the influence of the lone pair - lone pair interaction on the properties of diamines. An X-ray structural analysis of a protonated syn diamine established an N ... N -distance of 2.72 Angstrom in this new type of compounds. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00383-4
• 作为产物：
  描述：

  4-chloro-9-methyl-3-morpholino-9-azabicyclo[3.3.1]non-2-ene 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 23.0h， 生成 1α,2α,3β,4α,5α-9-methyl-3-morpholino-9-azatricyclo[3.3.1.02,4]nonane
  参考文献：
  名称：

  Plyers-shaped diamines II. 3-Amino-2,4-cyclogranatane diastereomers — A study of influence of structure on the properties of diamines

  摘要：

  3-Amino-2,4-cyclogranatane 3 beta- and 3 alpha-diastereomers can be synthesized from the corresponding 3 beta-carbonitriles by a kinetically and a thermodynamically controlled reductive decyanation, respectively. Comparison of both diastereomers with respect to basicity, ionization potentials and behaviour towards oxygen demonstrates the influence of the lone pair - lone pair interaction on the properties of diamines. An X-ray structural analysis of a protonated syn diamine established an N ... N -distance of 2.72 Angstrom in this new type of compounds. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00383-4