5-cyano-6-(dicyanomethylene)-2-methyl-N,4-diphenyl-1,6-dihydropyridine-3-carboxamide | 1600532-37-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-cyano-6-(dicyanomethylene)-2-methyl-N,4-diphenyl-1,6-dihydropyridine-3-carboxamide
• 英文别名: 5-cyano-6-(dicyanomethylidene)-2-methyl-N,4-diphenyl-1,6-dihydropyridine-3-carboxamide；5-cyano-6-(dicyanomethylidene)-2-methyl-N,4-diphenyl-1H-pyridine-3-carboxamide
• CAS: 1600532-37-3
• 化学式: C₂₃H₁₅N₅O
• mdl: MFCD00335549
• 分子量: 377.405
• InChiKey: PDUUNJMZTNOZOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-乙酰乙酰苯胺 、 2-amino-4-phenylbuta-1,3-diene-1,1,3-tricarbonitrile 在 sodium nitrite 作用下， 以 乙醇 为溶剂， 以78%的产率得到5-cyano-6-(dicyanomethylene)-2-methyl-N,4-diphenyl-1,6-dihydropyridine-3-carboxamide
  参考文献：
  名称：

  One-pot synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives

  摘要：

  The synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives from the reactions of arylmethylidene derivatives of malononitrile dimers with 1,3-dicarbonyl compounds is described. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.056

文献信息

• Three-Component synthesis and characterization of nicotinamide derivatives containing a buta-1,3-diene-1,1,3-tricarbonitrile fragment
  作者：Ivan N. Bardasov、Anastasiya U. Alekseeva、Sergey S. Chunikhin、Oleg V. Ershov

  DOI：10.1080/00397911.2018.1515959

  日期：2018.10.2

  Abstract The synthesis of nicotinamide derivatives containing a buta-1,3-diene-1,1,3-tricarbonitrile fragment through the base-promoted three-component reaction of an aromatic aldehyde, an acetoacetamide and malononitrile dimer in the presence of an oxidant is reported. The HOMO-LUMO energy levels were estimated by cyclic voltammetry and UV-Vis measurements. The influence of aryl and carbomoyl substituents

  摘要 在氧化剂的存在下，通过芳香醛、乙酰乙酰胺和丙二腈二聚体的碱促进三组分反应合成含有丁-1,3-二烯-1,1,3-三甲腈片段的烟酰胺衍生物是报道。HOMO-LUMO 能级通过循环伏安法和 UV-Vis 测量来估计。还研究了芳基和羰基取代基对光学和电化学性质的影响。图形概要