1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-one | 959259-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-one
• 英文别名: 1-Methyl-8-(2-pyridyl)-3,6-diazahomoadamantan-9-one；1-methyl-8-pyridin-2-yl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-one
• CAS: 959259-33-7
• 化学式: C₁₅H₁₉N₃O
• 分子量: 257.335
• InChiKey: KEUZAQNGNVSSJF-UHFFFAOYSA-N

物化性质

• 熔点：
  137-139 °C(Solvent: Heptane)
• 沸点：
  419.4±45.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  36.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以92%的产率得到1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-ol
  参考文献：
  名称：

  Synthesis of 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantane and its derivatives

  摘要：

  Condensation of 1-(pyridin-2-yl)butan-2-one with 1,3,6,8-tetraazatricyclo[4.4.1.13, 8]dodecane gave 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-one as intermediate product in the synthesis of 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantane and its derivatives with various functional groups at the bridging carbon atom.

  DOI：

  10.1134/s1070428010100155
• 作为产物：
  描述：

  1-(吡啶-2-基)-2-丁酮 、 1,3,5,7-四氮杂三环[3.3.2.2(3,7)]十二烷 在 溶剂黄146 作用下， 以 异丙醇 为溶剂， 以29%的产率得到1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-one
  参考文献：
  名称：

  Synthesis of 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantane and its derivatives

  摘要：

  Condensation of 1-(pyridin-2-yl)butan-2-one with 1,3,6,8-tetraazatricyclo[4.4.1.13, 8]dodecane gave 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-one as intermediate product in the synthesis of 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantane and its derivatives with various functional groups at the bridging carbon atom.

  DOI：

  10.1134/s1070428010100155

文献信息

• Synthesis of 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantane and its derivatives
  作者：A. I. Kuznetsov、G. M. Mazhed、T. M. Serova

  DOI：10.1134/s1070428010100155

  日期：2010.10

  Condensation of 1-(pyridin-2-yl)butan-2-one with 1,3,6,8-tetraazatricyclo[4.4.1.13, 8]dodecane gave 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantan-9-one as intermediate product in the synthesis of 1-methyl-8-(pyridin-2-yl)-3,6-diazahomoadamantane and its derivatives with various functional groups at the bridging carbon atom.