1,8-diamino-3-(butylethylamino)-6-ethoxy-2,7-naphthyridine-4-carbonitrile | 6582-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,8-diamino-3-(butylethylamino)-6-ethoxy-2,7-naphthyridine-4-carbonitrile
• 英文别名: 1,8-Diamino-3-[butyl(ethyl)amino]-6-ethoxy-2,7-naphthyridine-4-carbonitrile
• CAS: 6582-41-8
• 化学式: C₁₇H₂₄N₆O
• 分子量: 328.417
• InChiKey: PYLKIUBYVAMNEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-乙基正丁胺 在 sodium ethanolate 作用下， 以 1,4-二氧六环 为溶剂， 反应 73.0h， 生成 1,8-diamino-3-(butylethylamino)-6-ethoxy-2,7-naphthyridine-4-carbonitrile
  参考文献：
  名称：

  Regioselective Heteroannelation in 4-Cyanomethyl-3,5-pyridinedicarbonitriles. Synthesis of 6-Alkoxy-3-dialkylamino-1,8-diamino-2,7-naphthyridine-4-carbonitriles

  摘要：

  The title naphthyridines were found to be the sole products obtained after treatment of 2-amino-4-cyanomethyl-6-dialkylamino-3,5-pyridinedicarbonitriles with alkoxides. The starting pyridine derivatives were prepared by amination of the readily available 2-amino-6-chloro-4-cyanomethyl-3,5-pyridinedicarbonitrile in quantitative yields.

  DOI：

  10.1007/s00706-003-0006-4

文献信息

• Regioselective Heteroannelation in 4-Cyanomethyl-3,5-pyridinedicarbonitriles. Synthesis of 6-Alkoxy-3-dialkylamino-1,8-diamino-2,7-naphthyridine-4-carbonitriles
  作者：Anton V. Tverdokhlebov、Elizaveta V. Resnyanska、Andrey A. Tolmachev、Alexander V. Zavada

  DOI：10.1007/s00706-003-0006-4

  日期：2003.6

  The title naphthyridines were found to be the sole products obtained after treatment of 2-amino-4-cyanomethyl-6-dialkylamino-3,5-pyridinedicarbonitriles with alkoxides. The starting pyridine derivatives were prepared by amination of the readily available 2-amino-6-chloro-4-cyanomethyl-3,5-pyridinedicarbonitrile in quantitative yields.