4-[[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]amino]benzenesulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]amino]benzenesulfonamide
• 化学式: C₁₄H₁₂N₄O₄S
• 分子量: 332.34
• InChiKey: AXANCFFRKBVEPM-GHXNOFRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.13
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  142.15
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile 、 磺胺 、 原甲酸三甲酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.03h， 以91%的产率得到4-[[(Z)-(5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]amino]benzenesulfonamide
  参考文献：
  名称：

  One-pot three-component synthesis of 3-cyano-4-methyl-2,6-dioxopyridine amino enones

  摘要：

  (Z)-5-(Arylaminomethylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahythopyridine-3-carbonitriles were obtained by three-component condensation of 4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile with aromatic amines and trimethyl orthoformate in DMF. According to X-ray data, in the solid phase they exist as amino enone tautomers.

  DOI：

  10.1016/j.mencom.2015.03.019

文献信息

• One-pot three-component synthesis of 3-cyano-4-methyl-2,6-dioxopyridine amino enones
  作者：Julia S. Oshega、Boris V. Paponov、Irina V. Omelchenko、Oleg V. Shishkin

  DOI：10.1016/j.mencom.2015.03.019

  日期：2015.3

  (Z)-5-(Arylaminomethylidene)-4-methyl-2,6-dioxo-1,2,5,6-tetrahythopyridine-3-carbonitriles were obtained by three-component condensation of 4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile with aromatic amines and trimethyl orthoformate in DMF. According to X-ray data, in the solid phase they exist as amino enone tautomers.