3-cyano-1,2-dihydro-1-(4,6-dimethyl-1,2-dihydro-2-pyridone-3-carbonyl)-4,6-dimethyl-2-pyridone | 1307765-29-2

• 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: 3-cyano-1,2-dihydro-1-(4,6-dimethyl-1,2-dihydro-2-pyridone-3-carbonyl)-4,6-dimethyl-2-pyridone
• 英文别名: 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
• CAS: 1307765-29-2
• 化学式: C₁₆H₁₅N₃O₃
• 分子量: 297.313
• InChiKey: YNBDSYJTXYRDIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  90.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-cyano-1,2-dihydro-1-(2,4-dioxopentan-3-yl)-4,6-dimethyl-2-pyridone 在 一水合肼 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以63%的产率得到3-cyano-1,2-dihydro-1-(4,6-dimethyl-1,2-dihydro-2-pyridone-3-carbonyl)-4,6-dimethyl-2-pyridone
  参考文献：
  名称：

  Synthesis and reactions of 3-cyano-4,6-dimethyl-2-pyridone

  摘要：

  AbstractRapid synthesis of 3‐cyano‐4,6‐dimethyl‐2‐pyridone 3, using piprazine as a catalyst was reported. X‐ray data of the 4,6‐dimethyl‐2‐oxo‐1,2‐dihydropyridine‐3‐carbonitrile exhibited its oxo form. Synthesis of isoquinolinecarbonitrile and pyridylpyridazine using compound 3 was investigated. Reactivity of the synthesized pyridone toward different organic reagents was also studied. J. Heterocyclic Chem., (2011).

  DOI：

  10.1002/jhet.545

文献信息

• Synthesis and reactions of 3-cyano-4,6-dimethyl-2-pyridone
  作者：Abdel-Zaher A. Elassar

  DOI：10.1002/jhet.545

  日期：2011.3

  AbstractRapid synthesis of 3‐cyano‐4,6‐dimethyl‐2‐pyridone 3, using piprazine as a catalyst was reported. X‐ray data of the 4,6‐dimethyl‐2‐oxo‐1,2‐dihydropyridine‐3‐carbonitrile exhibited its oxo form. Synthesis of isoquinolinecarbonitrile and pyridylpyridazine using compound 3 was investigated. Reactivity of the synthesized pyridone toward different organic reagents was also studied. J. Heterocyclic Chem., (2011).