N-乙基-4,6-二甲基-3-氰基吡啶酮 | 94341-88-5

• 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
• 中文名称: N-乙基-4,6-二甲基-3-氰基吡啶酮
• 英文名称: 1-ethyl-4,6-dimethyl-3-cyano-2-pyridone
• 英文别名: N-ethyl-4,6-dimethyl-3-cyano-2-pyridone；1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile；1-Aethyl-4,6-dimethyl-2-oxo-1,2-dihydro-pyridin-3-carbonitril；1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile；1-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile
• CAS: 94341-88-5
• 化学式: C₁₀H₁₂N₂O
• mdl: MFCD03928930
• 分子量: 176.218
• InChiKey: PZDDLFYODDQVRM-UHFFFAOYSA-N

物化性质

• 溶解度：
  >26.4 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酰丙酮 、 2-氰基-N-乙基乙酰胺 在 哌啶 作用下， 反应 0.12h， 以71%的产率得到N-乙基-4,6-二甲基-3-氰基吡啶酮
  参考文献：
  名称：

  Synthesis of N‐Substituted 4,6‐Dimethyl‐3‐cyano‐2‐pyridones Under Microwave Irradiation

  摘要：

  N-substituted 4,6-dimethyl-3-cyano-2-pyridones have been prepared from acetylacetone, N-substituted cyanoacetamide, and pyperidine as catalyst under microwave irradiation without solvent. The rapid and simple method produced pure products in high yields.

  DOI：

  10.1080/00397910500334421

文献信息

• Mijin, Dušan Ž.; Milić, Branislav D.; Mišić-Vuković, Milica M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 4, p. 993 - 1003
  作者：Mijin, Dušan Ž.、Milić, Branislav D.、Mišić-Vuković, Milica M.

  DOI：——

  日期：——
• Zeolites in the Synthesis of 1-Alkyl-2-oxonicotinonitriles
  作者：E. S. Semichenko、F. N. Vasilenko、M. S. Tovbis、E. Yu. Belyae

  DOI：10.1007/s11178-005-0166-2

  日期：2005.2
• Ionic Liquid Catalyzed 4,6-Disubstituted-3-Cyano-2-Pyridone Synthesis Under Solvent-Free Conditions
  作者：Sunil S. Chavan、Mariam S. Degani

  DOI：10.1007/s10562-011-0700-5

  日期：2011.11

  A green protocol for the synthesis of 4,6-disubstituted-3-cyano-2-pyridones from cyanoacetamides and 1,3-dicarbonyl compounds or chalcones using guanidine based ionic liquid as catalyst has been developed. In solvent-free conditions at 30 A degrees C, [TMG][Lac] (1,1,3,3-tetramethylguanidine lactate) was found to have the highest catalytic activity among the ionic liquids including [TMG][Ac] (1,1,3,3-tetramethylguanidine acetate), [TMG][Pr] (1,1,3,3-tetramethylguanidine propionate), [TMG][n-Bu] (1,1,3,3-tetramethylguanidine n-butyrate) and [TMG][TFA] (1,1,3,3-tetramethylguanidine trifluoroacetate). The catalyst was recovered and recycled several times without significant loss of catalytic activity.
• Guareschi, Chemisches Zentralblatt, 1899, vol. 70, # I, p. 289
  作者：Guareschi

  DOI：——

  日期：——
• US7442475B2
  申请人：——

  公开号：US7442475B2

  公开（公告）日：2008-10-28