7-amino-6-cyano-5-(3',4'-dimethoxyphenyl)-4-oxo-1H,3H-pyrido[2,3-d]pyrimidin-2(H)-thione | 1048976-22-2

• 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: 7-amino-6-cyano-5-(3',4'-dimethoxyphenyl)-4-oxo-1H,3H-pyrido[2,3-d]pyrimidin-2(H)-thione
• 英文别名: 7-amino-5-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
• CAS: 1048976-22-2
• 化学式: C₁₆H₁₃N₅O₃S
• 分子量: 355.377
• InChiKey: IJKGAQLWIDUYSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-amino-6-cyano-5-(3',4'-dimethoxyphenyl)-4-oxo-1H,3H-pyrido[2,3-d]pyrimidin-2(H)-thione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以20%的产率得到7-amino-6-cyano-2-hydrazino-5-(3',4'-dimethoxyphenyl)-pyrido[2,3-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  Utility of Nitriles in Synthesis of Pyrido[2,3-d]pyrimidines, Thiazolo[3,2-a]pyridines, Pyrano[2,3-b]benzopyrrole, and Pyrido[2,3-d]benzopyrroles

  摘要：

  3-Aryl-2-cyanoacrylonitriles (1a, b) reacted with 6-aminothiouracil, 2-ethoxy carbonylmethyl-4-oxo-Delta(2)- thiazoline, 2-cyanomethyl-4-oxo-Delta(2)-thiazoline and indan-2-one to give pyrido[2,3-d]pyrimidines, thiazolo[3,2-a]pyridines, pyrano [2,3-b]benzopyrrole and pyrido[2,3-b]benzopyrrole, respectively. The IR, MS and H-1-NMR of the synthesized compounds were discussed. The antimicrobial activity of some of the synthesized compounds was tested.

  DOI：

  10.1080/10426500701506465
• 作为产物：
  描述：

  6-氨基-2-硫脲嘧啶 、 ((3,4-二甲氧基苯基)亚甲基)甲烷-1,1-二甲腈 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以48%的产率得到7-amino-6-cyano-5-(3',4'-dimethoxyphenyl)-4-oxo-1H,3H-pyrido[2,3-d]pyrimidin-2(H)-thione
  参考文献：
  名称：

  Utility of Nitriles in Synthesis of Pyrido[2,3-d]pyrimidines, Thiazolo[3,2-a]pyridines, Pyrano[2,3-b]benzopyrrole, and Pyrido[2,3-d]benzopyrroles

  摘要：

  3-Aryl-2-cyanoacrylonitriles (1a, b) reacted with 6-aminothiouracil, 2-ethoxy carbonylmethyl-4-oxo-Delta(2)- thiazoline, 2-cyanomethyl-4-oxo-Delta(2)-thiazoline and indan-2-one to give pyrido[2,3-d]pyrimidines, thiazolo[3,2-a]pyridines, pyrano [2,3-b]benzopyrrole and pyrido[2,3-b]benzopyrrole, respectively. The IR, MS and H-1-NMR of the synthesized compounds were discussed. The antimicrobial activity of some of the synthesized compounds was tested.

  DOI：

  10.1080/10426500701506465

文献信息

• Utility of Nitriles in Synthesis of Pyrido[2,3-d]pyrimidines, Thiazolo[3,2-a]pyridines, Pyrano[2,3-b]benzopyrrole, and Pyrido[2,3-d]benzopyrroles
  作者：M. R. Mahmoud、E. A. A. El-Bordany、N. F. Hassan、F. S. M. Abu El-Azm

  DOI：10.1080/10426500701506465

  日期：2007.9.13

  3-Aryl-2-cyanoacrylonitriles (1a, b) reacted with 6-aminothiouracil, 2-ethoxy carbonylmethyl-4-oxo-Delta(2)- thiazoline, 2-cyanomethyl-4-oxo-Delta(2)-thiazoline and indan-2-one to give pyrido[2,3-d]pyrimidines, thiazolo[3,2-a]pyridines, pyrano [2,3-b]benzopyrrole and pyrido[2,3-b]benzopyrrole, respectively. The IR, MS and H-1-NMR of the synthesized compounds were discussed. The antimicrobial activity of some of the synthesized compounds was tested.