4,6-di-(2-furyl)-2-(methylthio)nicotinenitrile | 1028209-01-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,6-di-(2-furyl)-2-(methylthio)nicotinenitrile
• 英文别名: 4,6-Bis(furan-2-yl)-2-methylsulfanylpyridine-3-carbonitrile
• CAS: 1028209-01-9
• 化学式: C₁₅H₁₀N₂O₂S
• 分子量: 282.323
• InChiKey: MKEMYEUTEUVYLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,6-di-(2-furyl)-2-(methylthio)nicotinenitrile 在 双氧水 、 溶剂黄146 作用下， 反应 0.5h， 以53%的产率得到4,6-di-(2-furyl)-2-(methylsulfonyl)nicotinenitrile
  参考文献：
  名称：

  Convenient Synthesis and Antimicrobial Evaluation of Multicyclic Thienopyridines

  摘要：

  Thieno[2,3-b] pyridines 7, 8, and 10 could be obtained via the S-alkylation of 3cyano-4,6-di-2-furyl-2(1H) pyridinethione (3) with a variety of alkylating agents. These compounds were conveniently converted into novel pyrido[3', 2':4,5] thieno[3,2d] pyrimidines 12-15 and 17-20 and thieno[2,3-b; 4,5-b'] dipyridine 11 derivatives. Structures of the products have been determined by elemental analyses and spectral data studies. All the tested compounds were found to exhibit moderate antimicrobial activity.

  DOI：

  10.1080/10426500701501276
• 作为产物：
  描述：

  1,3-di(2-furyl)-2-propen-1-one 在 氢氧化钾 、 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 11.0h， 生成 4,6-di-(2-furyl)-2-(methylthio)nicotinenitrile
  参考文献：
  名称：

  Convenient Synthesis and Antimicrobial Evaluation of Multicyclic Thienopyridines

  摘要：

  Thieno[2,3-b] pyridines 7, 8, and 10 could be obtained via the S-alkylation of 3cyano-4,6-di-2-furyl-2(1H) pyridinethione (3) with a variety of alkylating agents. These compounds were conveniently converted into novel pyrido[3', 2':4,5] thieno[3,2d] pyrimidines 12-15 and 17-20 and thieno[2,3-b; 4,5-b'] dipyridine 11 derivatives. Structures of the products have been determined by elemental analyses and spectral data studies. All the tested compounds were found to exhibit moderate antimicrobial activity.

  DOI：

  10.1080/10426500701501276

文献信息

• Convenient Synthesis and Antimicrobial Evaluation of Multicyclic Thienopyridines
  作者：Nora M. Rateb

  DOI：10.1080/10426500701501276

  日期：2008.9.5

  Thieno[2,3-b] pyridines 7, 8, and 10 could be obtained via the S-alkylation of 3cyano-4,6-di-2-furyl-2(1H) pyridinethione (3) with a variety of alkylating agents. These compounds were conveniently converted into novel pyrido[3', 2':4,5] thieno[3,2d] pyrimidines 12-15 and 17-20 and thieno[2,3-b; 4,5-b'] dipyridine 11 derivatives. Structures of the products have been determined by elemental analyses and spectral data studies. All the tested compounds were found to exhibit moderate antimicrobial activity.