3-dihydro-7-cyano-8-(2',4'-dichlorophenyl)-1,3-thiazino[3,2-a]pyrimidin-2,4,6-trione | 181175-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-dihydro-7-cyano-8-(2',4'-dichlorophenyl)-1,3-thiazino[3,2-a]pyrimidin-2,4,6-trione
• 英文别名: 8-(2,4-Dichlorophenyl)-2,4,6-trioxopyrimido[2,1-b][1,3]thiazine-7-carbonitrile
• CAS: 181175-76-8
• 化学式: C₁₄H₅Cl₂N₃O₃S
• 分子量: 366.184
• InChiKey: LLNSMFFANYLESA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  对硝基苯甲醛 、 3-dihydro-7-cyano-8-(2',4'-dichlorophenyl)-1,3-thiazino[3,2-a]pyrimidin-2,4,6-trione 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以40%的产率得到8-(2,4-Dichloro-phenyl)-3-[1-(4-nitro-phenyl)-meth-(E)-ylidene]-2,4,6-trioxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
  参考文献：
  名称：

  FUSED CYANOPYRIMIDINES: PART II SYNTHESIS AND REACTIONS OF FUSED CYANOPYRIMIDINE DERIVATIVES AS AFFECTING ENZYMATIC AGENTS

  摘要：

  Some new fused heterobicyclic systems, such as thiazolo[3, 2-a]-pyrimidin-5-one (3), 2, 3-tetrahydrothiazolo[3, 2-a]pyrimidin-5-one (5), 2, 4-tetrahydrothiazino[3, 2-a]pyrimidin-3 (6), 3-dihydrothiazino[3, 2-a]pyrimidin-2, 4, 6-trione (7), 3-arylidenethiazino[3, 2-a]pyrimidin-2, 4, (8) and/or the related nitrogen compounds, such as 2, 3-tetrahydroimidazolo[3, 2-a]-pyrimidin-5-one (9), 1-aryl-2, 3-tetrahydroimidazolo[3, 2-a]pyrimidin-5-one (11), quinazolino[3, 2-a]pyrimidin-6, 8-dione (12) and 3-mercapto-1, 2, 4-triazolo[4, 3-a]pyrimidin-5-one (14) have been synthesized by the interaction of 2-mercapto-4-arylidene-5-cyanopyrimidin-6(1H)one (1) with alpha, beta-bifunctional nitrogen, oxygen and/or sulfur compounds. The structures have been characterized by elemental analyses, IR, UV, H-1 NMR and mass spectral data. Some newly prepared compounds revealed a moderate effect on the activity of cellobiase produced by Aspergillus nidulans.

  DOI：

  10.1080/10426509608046379
• 作为产物：
  描述：

  2,4-二氯苯甲醛 在 sodium ethanolate 、 乙酰氯 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 3-dihydro-7-cyano-8-(2',4'-dichlorophenyl)-1,3-thiazino[3,2-a]pyrimidin-2,4,6-trione
  参考文献：
  名称：

  FUSED CYANOPYRIMIDINES: PART II SYNTHESIS AND REACTIONS OF FUSED CYANOPYRIMIDINE DERIVATIVES AS AFFECTING ENZYMATIC AGENTS

  摘要：

  Some new fused heterobicyclic systems, such as thiazolo[3, 2-a]-pyrimidin-5-one (3), 2, 3-tetrahydrothiazolo[3, 2-a]pyrimidin-5-one (5), 2, 4-tetrahydrothiazino[3, 2-a]pyrimidin-3 (6), 3-dihydrothiazino[3, 2-a]pyrimidin-2, 4, 6-trione (7), 3-arylidenethiazino[3, 2-a]pyrimidin-2, 4, (8) and/or the related nitrogen compounds, such as 2, 3-tetrahydroimidazolo[3, 2-a]-pyrimidin-5-one (9), 1-aryl-2, 3-tetrahydroimidazolo[3, 2-a]pyrimidin-5-one (11), quinazolino[3, 2-a]pyrimidin-6, 8-dione (12) and 3-mercapto-1, 2, 4-triazolo[4, 3-a]pyrimidin-5-one (14) have been synthesized by the interaction of 2-mercapto-4-arylidene-5-cyanopyrimidin-6(1H)one (1) with alpha, beta-bifunctional nitrogen, oxygen and/or sulfur compounds. The structures have been characterized by elemental analyses, IR, UV, H-1 NMR and mass spectral data. Some newly prepared compounds revealed a moderate effect on the activity of cellobiase produced by Aspergillus nidulans.

  DOI：

  10.1080/10426509608046379