1,6-dihydro-3-formyl-6-imino-4-[3-methyl-(4H)-5-phenylimidazo[2,1-b]thiazol-2-yl]-1-phenylpyridazine-5-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,6-dihydro-3-formyl-6-imino-4-[3-methyl-(4H)-5-phenylimidazo[2,1-b]thiazol-2-yl]-1-phenylpyridazine-5-carbonitrile
• 英文别名: 6-Formyl-3-imino-5-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-2-phenylpyridazine-4-carbonitrile
• 化学式: C₂₄H₁₆N₆OS
• 分子量: 436.497
• InChiKey: GXRKZXKMSXJNQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-乙酰基-2-氨基-4-甲基噻唑 在 乙酸铵 、 sodium hydroxide 、 溶剂黄146 、 原甲酸三乙酯 作用下， 以 乙醇 、 正丁醇 、 苯 为溶剂， 反应 48.0h， 生成 1,6-dihydro-3-formyl-6-imino-4-[3-methyl-(4H)-5-phenylimidazo[2,1-b]thiazol-2-yl]-1-phenylpyridazine-5-carbonitrile
  参考文献：
  名称：

  SYNTHESIS OF NEW PYRIDAZIN- 6-ONES, PYRIDAZIN-6-IMINES, 4-PYRIDAZINALS, AND PYRIDINES

  摘要：

  3-Dimethyl-1-[3-methyl-(4H)-5-phenylimidazol[2,1-b]thiazol-2-yl]prop-2-enone 4 couples smoothly with benzenediazonium chloride to yield propanal 5 which is a key intermediate for the synthesis of pyridazinones 9-13, 16 and pyridazine-6-imine 8, 19. Pentadienonitrile 18 was converted into pyridine-3-carbonitrile 20 on refluxing in ethanolic sodium ethoxide solution. Pyrazole 24 was synthesized from the reaction of 5 with 1-chloro-2-phenylhydrazono propan-2-one 22.

  DOI：

  10.1081/scc-120002134

文献信息

• SYNTHESIS OF NEW PYRIDAZIN- 6-ONES, PYRIDAZIN-6-IMINES, 4-PYRIDAZINALS, AND PYRIDINES
  作者：Samia Sayed、Mohamed Khalil、Maghraby Ahmed、Mohamed Raslan

  DOI：10.1081/scc-120002134

  日期：——

  3-Dimethyl-1-[3-methyl-(4H)-5-phenylimidazol[2,1-b]thiazol-2-yl]prop-2-enone 4 couples smoothly with benzenediazonium chloride to yield propanal 5 which is a key intermediate for the synthesis of pyridazinones 9-13, 16 and pyridazine-6-imine 8, 19. Pentadienonitrile 18 was converted into pyridine-3-carbonitrile 20 on refluxing in ethanolic sodium ethoxide solution. Pyrazole 24 was synthesized from the reaction of 5 with 1-chloro-2-phenylhydrazono propan-2-one 22.