6-Methoxy-1,4-dimethyl-2,3-dihydropyrido[3,4-e][1,4]diazepin-5-one | 1417619-60-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶二氮卓类
• 英文名称: 6-Methoxy-1,4-dimethyl-2,3-dihydropyrido[3,4-e][1,4]diazepin-5-one
• 英文别名: 6-methoxy-1,4-dimethyl-2,3-dihydropyrido[3,4-e][1,4]diazepin-5-one
• CAS: 1417619-60-3
• 化学式: C₁₁H₁₅N₃O₂
• 分子量: 221.259
• InChiKey: BIWBTZRRXWNBMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  45.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-甲氧基吡啶-3-醇 在 lithium aluminium tetrahydride 、 正丁基锂 、 三乙胺 、 N,N-二异丙基乙胺 、 cesium fluoride 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 苯 为溶剂， 反应 29.5h， 生成 6-Methoxy-1,4-dimethyl-2,3-dihydropyrido[3,4-e][1,4]diazepin-5-one
  参考文献：
  名称：

  Addition of Cyclic Ureas and 1-Methyl-2-oxazolidone to Pyridynes: A New Approach to Pyridodiazepines, Pyridodiazocines, and Pyridooxazepines

  摘要：

  Reactions of pyridynes with cyclic urea and 1-methyl-2-oxazolidone were demonstrated. 3,4-Pyridyne and 2,3-pyridyne were reacted with N,N-dimethylimidazolidone, N,N-dimethylpropylene urea, and 1-methyl-2-oxazolidone to give the corresponding pyridodiazepines, pyridodiazocines, and pyridooxazepines, respectively.

  DOI：

  10.1021/ol303352q

文献信息

• Addition of Cyclic Ureas and 1-Methyl-2-oxazolidone to Pyridynes: A New Approach to Pyridodiazepines, Pyridodiazocines, and Pyridooxazepines
  作者：Nozomi Saito、Ken-ichi Nakamura、Sayako Shibano、Soichiro Ide、Masabumi Minami、Yoshihiro Sato

  DOI：10.1021/ol303352q

  日期：2013.1.18

  Reactions of pyridynes with cyclic urea and 1-methyl-2-oxazolidone were demonstrated. 3,4-Pyridyne and 2,3-pyridyne were reacted with N,N-dimethylimidazolidone, N,N-dimethylpropylene urea, and 1-methyl-2-oxazolidone to give the corresponding pyridodiazepines, pyridodiazocines, and pyridooxazepines, respectively.