1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane | 1415414-27-5

• 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: 1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane
• 英文别名: 6-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]diselanyl]-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
• CAS: 1415414-27-5
• 化学式: C₂₄H₁₆F₂N₄O₂Se₂
• 分子量: 588.333
• InChiKey: DICUVVULARDUMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane 、 碘乙烷 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以70%的产率得到2-(ethylselanyl)-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis and reactions of 1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane

  摘要：

  The interaction of 2-fluorobenzaldehyde, cyanoselenoacetamide and Meldrum's acid in the presence of N-methylmorpholine gives 1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]di-selane, which also is the product of the reaction of cyanoselenoacetamide with 5-(2-fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. The diselane obtained interacts with alkyl halides in the presence of a base, forming the corresponding 4-(2-fluorophenyl)-2-(2-R-methylselanyl)-6-oxo-1,4,5,6-tetra-hydropyridine-3-carbonitriles.

  DOI：

  10.1007/s10593-012-1092-1
• 作为产物：
  描述：

  5-(2-fluoro-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 、 cyanoselenoacetamide 在 N-甲基吗啉 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以69%的产率得到1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane
  参考文献：
  名称：

  Synthesis and reactions of 1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]diselane

  摘要：

  The interaction of 2-fluorobenzaldehyde, cyanoselenoacetamide and Meldrum's acid in the presence of N-methylmorpholine gives 1,2-bis[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]di-selane, which also is the product of the reaction of cyanoselenoacetamide with 5-(2-fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. The diselane obtained interacts with alkyl halides in the presence of a base, forming the corresponding 4-(2-fluorophenyl)-2-(2-R-methylselanyl)-6-oxo-1,4,5,6-tetra-hydropyridine-3-carbonitriles.

  DOI：

  10.1007/s10593-012-1092-1