1-benzyl-3,6-diazahomoadamantan-9-one hydrazone | 1516567-29-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-benzyl-3,6-diazahomoadamantan-9-one hydrazone
• 英文别名: (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane；(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)hydrazine
• CAS: 1516567-29-5
• 化学式: C₁₆H₂₂N₄
• 分子量: 270.377
• InChiKey: MLJGOEPWXHETFZ-OBGWFSINSA-N

物化性质

• 沸点：
  432.1±55.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-benzyl-3,6-diazahomoadamantan-9-one hydrazone 在 potassium hydroxide 作用下， 反应 2.0h， 以62%的产率得到1-benzyl-3,6-diazahomoadamantane
  参考文献：
  名称：

  Synthesis of 1-benzyl-3,6-diazahomoadamantane

  摘要：

  By condensation of 4-phenylbutan-2-one with tetramethylenediethylenetetramine 1-benzyl-3,6-diazahomoadamantan-9-one was synthesized. Further nitration of 1-benzyl-3,6-diazahomoadamantan-9-one yielded 1-(4-nitrobenzyl)-3,6-diaE > ahomoadamantan-9-one. The modification of the nitro and carbonyl groups resulted in the formation of 1-benzyl-3,6-diazahomoadamantane and its derivatives with functional groups in the benzene ring and at the bridge carbon atom C-9.

  DOI：

  10.1134/s1070428013110183
• 作为产物：
  描述：

  1,3,5,7-四氮杂三环[3.3.2.2(3,7)]十二烷 在 一水合肼 、 溶剂黄146 作用下， 以 仲丁醇 为溶剂， 反应 3.5h， 生成 1-benzyl-3,6-diazahomoadamantan-9-one hydrazone
  参考文献：
  名称：

  Synthesis of 1-benzyl-3,6-diazahomoadamantane

  摘要：

  By condensation of 4-phenylbutan-2-one with tetramethylenediethylenetetramine 1-benzyl-3,6-diazahomoadamantan-9-one was synthesized. Further nitration of 1-benzyl-3,6-diazahomoadamantan-9-one yielded 1-(4-nitrobenzyl)-3,6-diaE > ahomoadamantan-9-one. The modification of the nitro and carbonyl groups resulted in the formation of 1-benzyl-3,6-diazahomoadamantane and its derivatives with functional groups in the benzene ring and at the bridge carbon atom C-9.

  DOI：

  10.1134/s1070428013110183

文献信息

• Synthesis of 1-benzyl-3,6-diazahomoadamantane
  作者：A. I. Kuznetsov、I. M. Senan、R. T. Alasadi、A. Kh. Shukkur、T. M. Serova

  DOI：10.1134/s1070428013110183

  日期：2013.11

  By condensation of 4-phenylbutan-2-one with tetramethylenediethylenetetramine 1-benzyl-3,6-diazahomoadamantan-9-one was synthesized. Further nitration of 1-benzyl-3,6-diazahomoadamantan-9-one yielded 1-(4-nitrobenzyl)-3,6-diaE > ahomoadamantan-9-one. The modification of the nitro and carbonyl groups resulted in the formation of 1-benzyl-3,6-diazahomoadamantane and its derivatives with functional groups in the benzene ring and at the bridge carbon atom C-9.