1,3-diethyl-4,6-diphenyl-3,4-dihydropyridin-2(1H)-one | 81668-19-1

• 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: 1,3-diethyl-4,6-diphenyl-3,4-dihydropyridin-2(1H)-one
• 英文别名: 1,3-Diethyl-4,6-diphenyl-3,4-dihydropyridin-2-one
• CAS: 81668-19-1
• 化学式: C₂₁H₂₃NO
• 分子量: 305.42
• InChiKey: VQGRMPPBKXVCSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,6-二苯基-2-吡喃酮 以 水 为溶剂， 反应 16.75h， 生成 1,3-diethyl-4,6-diphenyl-3,4-dihydropyridin-2(1H)-one
  参考文献：
  名称：

  Katritzky, Alan R.; Arrowsmith, John; Grzeskowiak, Nicholas E., Journal of the Chemical Society. Perkin transactions I, 1982, p. 143 - 152

  摘要：

  DOI：

文献信息

• Simultaneous <i>C</i>- and <i>N</i>-Alkylation of 2-Oxo-4,6-diaryl-1,2,3,4-tetrahydropyridine-3-carbonitrile Under Solid–Liquid Phase-Transfer Conditions
  作者：Hetal C. Shah、Vaishali H. Shah、Nirmal D. Desai

  DOI：10.1080/00397910903003474

  日期：2010.2.2

  The alkylation of 2-oxo-4,6-diaryl-1,2,3,4-tetrahydropyridine-3-carbonitrile 1 has been carried out using different alkyl/arylating agents in solid-liquid phase-transfer catalysis conditions. The aim was to study the effect of steric hindrance offered by the aryl group in the sixth position of the pyridine ring on the ambient N- vs. O-alkylation ratio. Simultaneous C- and N-alkylation was encountered and confirmed by x-ray crystallography. Our study to gain exclusive regiocontrol for simultaneous alkylation was carried out. An alternative route for C-C bond formation was also established by the removal of the cyano functionality.
• Katritzky, Alan R.; Arrowsmith, John; Grzeskowiak, Nicholas E., Journal of the Chemical Society. Perkin transactions I, 1982, p. 143 - 152
  作者：Katritzky, Alan R.、Arrowsmith, John、Grzeskowiak, Nicholas E.、Salgado, Hector J.、Bahari, Zakaria bin

  DOI：——

  日期：——