2-morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine | 1616963-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 2-morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
• 英文别名: 2-Morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
• CAS: 1616963-15-5
• 化学式: C₁₁H₁₇N₅O
• 分子量: 235.289
• InChiKey: DCXFLKHGMHMFMW-UHFFFAOYSA-N

物化性质

• 沸点：
  507.2±60.0 °C(predicted)
• 密度：
  1.276±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  76.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-吗琳甲腈 、 双(2-氰基乙基)胺 在 potassium tert-butylate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 2.0h， 以49%的产率得到2-morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Alternative synthetic route to annulated diaminopyrimidines

  摘要：

  We report an alternative synthetic approach to annulated diaminopyrimidines based on a one-pot process, in which a Thorpe-Ziegler cyclization of a dinitrile is followed by in situ reaction with a cyanamide under highly concentrated and basic conditions. The total reaction can be carried out as fast as 30 min. The reaction mechanism is discussed. This one-pot synthetic route is universally applicable to a large variety of cyanamides and dinitriles, even natural products, to afford complex annulated diaminopyrimidines. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.05.057