2-amino-4-(cyanomethyl)-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile | 649570-83-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-amino-4-(cyanomethyl)-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile
• 英文别名: 2-Amino-4-(cyanomethyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
• CAS: 649570-83-2
• 化学式: C₁₃H₁₂N₆
• 分子量: 252.278
• InChiKey: QOIDVKYCLCYPMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 2-amino-4-(cyanomethyl)-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以76%的产率得到1,8-diamino-3,6-bis(1-pyrrolidinyl)-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
• 作为产物：
  描述：

  四氢吡咯 、 2-氨基-6-氯-4-(氰基甲基)吡啶-3,5-二甲腈 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.67h， 以87%的产率得到2-amino-4-(cyanomethyl)-6-(1-pyrrolidinyl)-3,5-pyridinedicarbonitrile
  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.