1-(3,4-dimethoxyphenyl)-3,6-diazahomoadamantan-9-one

• 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-(3,4-dimethoxyphenyl)-3,6-diazahomoadamantan-9-one
• 化学式: C₁₇H₂₂N₂O₃
• 分子量: 302.373
• InChiKey: AEKKCHQUVXLYAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.77
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  42.01
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苯丙酮 、 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， 反应 72.0h， 以46%的产率得到1-(3,4-dimethoxyphenyl)-3,6-diazahomoadamantan-9-one
  参考文献：
  名称：

  Synthesis of fragrant substances. Diazaadamantanones

  摘要：

  By condensation of hexamethylenetetramine and tetramethylenediethylenetetramine with 1-(4-methoxyphenyl)propan-2-one and 1-(3,4-dimethoxyphenyl)propan-2-one new fragrant substances, diazaadamantanones, were synthesized. By heating of 5-(4-methoxyphenyl)-1,3-diazaadamantan-6-one and 1-(4-methoxyphenyl)-3,6-diazahomoadamantan-9-one with hydrobromic acid 5-(4-hydroxyphenyl)-1,3-diazaadamantan-6-one and 1-(4-hydroxyphenyl)-3,6-diazahomoadamantan-9-one were obtained.

  DOI：

  10.1134/s1070428015110135

文献信息

• Synthesis of fragrant substances. Diazaadamantanones
  作者：A. I. Kuznetsov、R. T. Alasadi、T. M. Serova

  DOI：10.1134/s1070428015110135

  日期：2015.11

  By condensation of hexamethylenetetramine and tetramethylenediethylenetetramine with 1-(4-methoxyphenyl)propan-2-one and 1-(3,4-dimethoxyphenyl)propan-2-one new fragrant substances, diazaadamantanones, were synthesized. By heating of 5-(4-methoxyphenyl)-1,3-diazaadamantan-6-one and 1-(4-methoxyphenyl)-3,6-diazahomoadamantan-9-one with hydrobromic acid 5-(4-hydroxyphenyl)-1,3-diazaadamantan-6-one and 1-(4-hydroxyphenyl)-3,6-diazahomoadamantan-9-one were obtained.