4-benzyl-10-phenyl-1,4,7-triazabicyclo[5.2.1]decane | 1384099-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-benzyl-10-phenyl-1,4,7-triazabicyclo[5.2.1]decane
• CAS: 1384099-53-9
• 化学式: C₂₀H₂₅N₃
• 分子量: 307.439
• InChiKey: YQCGFLFZENPKJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzyl-10-phenyl-1,4,7-triazabicyclo[5.2.1]decane 在 盐酸 、 水 作用下， 反应 3.0h， 以100%的产率得到1-benzyl-1,4,7-triazacyclononane trihydrochloride
  参考文献：
  名称：

  exo-Diastereoisomer of 10-aryl-1,4,7-triazabicyclo[5.2.1]decane as intermediary in specific derivatisation of triazacyclononane

  摘要：

  Reaction of triazacyclononane (tacn) and aromatic aldehydes leads to aminal adducts, which exhibit only the exo configuration. In these aminal compounds, secondary amine function possesses a higher reactivity towards electrophilic reactants than the two nitrogen atoms linked to aminal carbon, giving rise to the specific derivatisation of tacn by different functionalised groups. Study of this behaviour also permits the access to a ditopic tacn-cyclam bicyclic polyamine. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.057
• 作为产物：
  描述：

  苯甲醛 在 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 8.0h， 生成 4-benzyl-10-phenyl-1,4,7-triazabicyclo[5.2.1]decane
  参考文献：
  名称：

  exo-Diastereoisomer of 10-aryl-1,4,7-triazabicyclo[5.2.1]decane as intermediary in specific derivatisation of triazacyclononane

  摘要：

  Reaction of triazacyclononane (tacn) and aromatic aldehydes leads to aminal adducts, which exhibit only the exo configuration. In these aminal compounds, secondary amine function possesses a higher reactivity towards electrophilic reactants than the two nitrogen atoms linked to aminal carbon, giving rise to the specific derivatisation of tacn by different functionalised groups. Study of this behaviour also permits the access to a ditopic tacn-cyclam bicyclic polyamine. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.057