4-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-3-oxo-butyric acid ethyl ester | 290299-57-9

• 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-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-3-oxo-butyric acid ethyl ester
• 英文别名: ethyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-3-oxobutanoate
• CAS: 290299-57-9
• 化学式: C₁₄H₁₆N₂O₃S
• 分子量: 292.359
• InChiKey: NXNGGHOSBGQZBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-3-oxo-butyric acid ethyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.08h， 以99%的产率得到7,9-Dimethylpyrido[2',3':4,5]thieno[2,3-b]pyridine-2,4-diol
  参考文献：
  名称：

  Synthesis of substituted 4-hydroxy-1H-thieno[2,3-b;4,5-b′]dipyridin-2-ones

  摘要：

  Substituted 4-hydroxy-1 H-thieno[2,3-b;4,5-b']dipyridin-2-ones were prepared by the reactions of 3-cyanopyridine-2(1 H)-thiones with alkyl 4-chloroacetoacetates and by intramolecular cyclization of alkyl 4-(2-pyridylthio)acetoacetates or alkyl 3-(3-aminothieno[2,3-b]pyridin-2-yl)-3-oxopropionates under the action of bases.

  DOI：

  10.1007/bf02494687
• 作为产物：
  描述：

  4-氯乙酰乙酸乙酯 、 3-氰基-4,6-二甲基-2-硫基吡啶 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以93%的产率得到4-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-3-oxo-butyric acid ethyl ester
  参考文献：
  名称：

  Synthesis of substituted 4-hydroxy-1H-thieno[2,3-b;4,5-b′]dipyridin-2-ones

  摘要：

  Substituted 4-hydroxy-1 H-thieno[2,3-b;4,5-b']dipyridin-2-ones were prepared by the reactions of 3-cyanopyridine-2(1 H)-thiones with alkyl 4-chloroacetoacetates and by intramolecular cyclization of alkyl 4-(2-pyridylthio)acetoacetates or alkyl 3-(3-aminothieno[2,3-b]pyridin-2-yl)-3-oxopropionates under the action of bases.

  DOI：

  10.1007/bf02494687

文献信息

• Synthesis of 6-amino-4-aryl-5-cyano-3-(3-cyanopyridin-2-ylthiomethyl)-2,4-dihydropyrano[2,3-c]pyrazoles and their hydrogenated analogs. Molecular structure of 6-amino-5-cyano-3-(3-cyano-4,6-dimethylpyridin-2-ylthiomethyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole
  作者：L. A. Rodinovskaya、A. V. Gromova、A. M. Shestopalov、V. N. Nesterov

  DOI：10.1023/b:rucb.0000011880.05561.c1

  日期：2003.10

  prepared based on ethyl esters of substituted 4-(pyridin-2-ylthio)- or 4-(1,4-dihydropyridin-2-ylthio)acetoacetic acids and hydrazine hydrate, were used in the synthesis of 6-amino-4-aryl-5-cyano-3-(pyridin-2-ylthiomethyl)-2,4-dihydropyrano[2,3-c]pyrazoles. The molecular and crystal structure of 6-amino-5-cyano-3-(3-cyano-4,6-dimethylpyridin-2-ylthiomethyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole

  基于取代的 4-(吡啶-2-基硫基)-或 4-(1,4-二氢吡啶-2-基硫基)乙酰乙酸和肼水合物的乙酯制备的取代 3-羟基吡唑被用于合成6-氨基-4-芳基-5-氰基-3-（吡啶-2-基硫甲基）-2,4-二氢吡喃并[2,3-c]吡唑。6-氨基-5-氰基-3-(3-氰基-4,6-二甲基吡啶-2-基硫甲基)-4-(2-硝基苯基)-2,4-二氢吡喃[2,3-的分子和晶体结构c]吡唑是通过X射线衍射分析建立的。
• Synthesis of substituted 4-hydroxy-1H-thieno[2,3-b;4,5-b′]dipyridin-2-ones
  作者：L. A. Rodinovskaya、A. M. Shestopalov

  DOI：10.1007/bf02494687

  日期：2000.2

  Substituted 4-hydroxy-1 H-thieno[2,3-b;4,5-b']dipyridin-2-ones were prepared by the reactions of 3-cyanopyridine-2(1 H)-thiones with alkyl 4-chloroacetoacetates and by intramolecular cyclization of alkyl 4-(2-pyridylthio)acetoacetates or alkyl 3-(3-aminothieno[2,3-b]pyridin-2-yl)-3-oxopropionates under the action of bases.