3,5-diethoxy-4-pyridinecarbonitrile | 164077-51-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-diethoxy-4-pyridinecarbonitrile
• 英文别名: 3,5-diethoxypyridine-4-carbonitrile
• CAS: 164077-51-4
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: INXKIUVEJIXENK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-diethoxy-4-pyridinecarbonitrile 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 溶剂黄146 作用下， 生成 3,5-diethoxy-4-aminomethylpyridine
  参考文献：
  名称：

  3,5-Dichloro-4-pyridinecarbonitrile as a Key Reagent in a Synthesis of Copper Containing Amine Oxidase Inhibitors

  摘要：

  Various synthetic approaches to 3,4,5-trifunctionalized pyridine derivatives useful as benzylamine oxidase inhibitors are extensively explored. Fully satisfactory preparations of the inhibitors 3,5-diethoxy-4-aminomethylpyridine (4), 3,5-bis(3-hydroxypropoxy)-4-aminomethylpyridine (11), 3,5-bis(4-hydroxybutoxy)-4- aminomethylpyridine (12) and 3-ethoxy-5-phenylmethoxy-4-aminomethylpyridine (16), all in the form of dihydrochloride salt, using 3,5-dichloro-4-pyridinecarbonitrile as key precursor, are reported.

  DOI：

  10.3987/com-94-6945
• 作为产物：
  描述：

  3,5-二乙氧基吡啶-4-羧醛 在 甲酸 、 硫酸 、 盐酸羟胺 作用下， 反应 2.5h， 以79.3%的产率得到3,5-diethoxy-4-pyridinecarbonitrile
  参考文献：
  名称：

  3,5-Dichloro-4-pyridinecarbonitrile as a Key Reagent in a Synthesis of Copper Containing Amine Oxidase Inhibitors

  摘要：

  Various synthetic approaches to 3,4,5-trifunctionalized pyridine derivatives useful as benzylamine oxidase inhibitors are extensively explored. Fully satisfactory preparations of the inhibitors 3,5-diethoxy-4-aminomethylpyridine (4), 3,5-bis(3-hydroxypropoxy)-4-aminomethylpyridine (11), 3,5-bis(4-hydroxybutoxy)-4- aminomethylpyridine (12) and 3-ethoxy-5-phenylmethoxy-4-aminomethylpyridine (16), all in the form of dihydrochloride salt, using 3,5-dichloro-4-pyridinecarbonitrile as key precursor, are reported.

  DOI：

  10.3987/com-94-6945

文献信息

• 3,5-Dichloro-4-pyridinecarbonitrile as a Key Reagent in a Synthesis of Copper Containing Amine Oxidase Inhibitors
  作者：Vincenzo Bertini、Francesco Lucchesini、Marco Pocci、Angela De Munno

  DOI：10.3987/com-94-6945

  日期：——

  Various synthetic approaches to 3,4,5-trifunctionalized pyridine derivatives useful as benzylamine oxidase inhibitors are extensively explored. Fully satisfactory preparations of the inhibitors 3,5-diethoxy-4-aminomethylpyridine (4), 3,5-bis(3-hydroxypropoxy)-4-aminomethylpyridine (11), 3,5-bis(4-hydroxybutoxy)-4- aminomethylpyridine (12) and 3-ethoxy-5-phenylmethoxy-4-aminomethylpyridine (16), all in the form of dihydrochloride salt, using 3,5-dichloro-4-pyridinecarbonitrile as key precursor, are reported.