(1R,2S,5S)-4-(3,7-Diaza-bicyclo[3.3.1]non-2-yl)-butyric acid methyl ester | 761406-91-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1R,2S,5S)-4-(3,7-Diaza-bicyclo[3.3.1]non-2-yl)-butyric acid methyl ester
• CAS: 761406-91-1
• 化学式: C₁₂H₂₂N₂O₂
• 分子量: 226.319
• InChiKey: TVBGNGGTANOZBX-AXFHLTTASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.53
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  50.36
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (1R,2S,5S)-4-(3,7-Diaza-bicyclo[3.3.1]non-2-yl)-butyric acid methyl ester 以 甲醇 、 水 为溶剂， 反应 0.83h， 生成
  参考文献：
  名称：

  Access to novel substituted diazaadamantanes via semi-natural tetrahydrocytisine

  摘要：

  Novel 1,3-diazaadamantane structures 3 and 6 were prepared from tetrahyd to (-)-cytisine 1 using intermolecular conversions within the bispidine moiety. 2-Oxo derivative 6 was synthesized using a microwave-assisted procedure, which reduces the reaction time and increases the purity of the crude reaction mixture. Alternative possibilities of intermolecular cyclizations were also explored. Though less successful, they provided interesting insights into the chemistry of bispidine systems. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.056
• 作为产物：
  描述：

  甲醇 、 tetrahydrocytisine 在 盐酸 作用下， 反应 24.0h， 生成 (1R,2S,5S)-4-(3,7-Diaza-bicyclo[3.3.1]non-2-yl)-butyric acid methyl ester
  参考文献：
  名称：

  Access to novel substituted diazaadamantanes via semi-natural tetrahydrocytisine

  摘要：

  Novel 1,3-diazaadamantane structures 3 and 6 were prepared from tetrahyd to (-)-cytisine 1 using intermolecular conversions within the bispidine moiety. 2-Oxo derivative 6 was synthesized using a microwave-assisted procedure, which reduces the reaction time and increases the purity of the crude reaction mixture. Alternative possibilities of intermolecular cyclizations were also explored. Though less successful, they provided interesting insights into the chemistry of bispidine systems. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.056