4-dicyanomethylene-2-morpholino-4,5-dihydrothiazole | 203380-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-dicyanomethylene-2-morpholino-4,5-dihydrothiazole
• 英文别名: 2-(2-morpholin-4-yl-1,3-thiazol-4-ylidene)propanedinitrile
• CAS: 203380-70-5
• 化学式: C₁₀H₁₀N₄OS
• 分子量: 234.282
• InChiKey: MGFPOSVZHRLVLO-UHFFFAOYSA-N

物化性质

• 沸点：
  398.7±52.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  97.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  对二甲氨基苯甲醛 、 4-dicyanomethylene-2-morpholino-4,5-dihydrothiazole 以 乙酸酐 为溶剂， 反应 0.17h， 以55%的产率得到4-dicyanomethylene-5-(4-dimethylaminophenyl-methylene)-2-morpholino-4,5-dihydrothiazole
  参考文献：
  名称：

  On the reaction of 2-amino-4-thiazoliniminium salts with active methylene compounds

  摘要：

  The easily available 2-amino-4-thiazoliniminium salts 6 react with different types of active methylene compounds. Whereas 2-amino-4-cyanomethylene-4,5-dihydrothiazoles 13 and 14 are formed with malononitrile (11) or ethyl cyanoacetate (12) in the presence of bases, acetyl acetone (15) and ethyl acetic acetate (16) afford 2-amino-thiazolo[4,5-b]pyridines 21 and 22, resp. The structures of the new compounds 13, 14, 21 and 22 have been elucidated by means of analytical and spectroscopic methods and confirmed by some chemical reactions.

  DOI：

  10.1007/bf00806970
• 作为产物：
  描述：

  2-(morpholin-4-yl)thiazol-4(5H)-iminium chloride 、 丙二腈 在 sodium hydroxide 作用下， 反应 2.0h， 以60%的产率得到4-dicyanomethylene-2-morpholino-4,5-dihydrothiazole
  参考文献：
  名称：

  On the reaction of 2-amino-4-thiazoliniminium salts with active methylene compounds

  摘要：

  The easily available 2-amino-4-thiazoliniminium salts 6 react with different types of active methylene compounds. Whereas 2-amino-4-cyanomethylene-4,5-dihydrothiazoles 13 and 14 are formed with malononitrile (11) or ethyl cyanoacetate (12) in the presence of bases, acetyl acetone (15) and ethyl acetic acetate (16) afford 2-amino-thiazolo[4,5-b]pyridines 21 and 22, resp. The structures of the new compounds 13, 14, 21 and 22 have been elucidated by means of analytical and spectroscopic methods and confirmed by some chemical reactions.

  DOI：

  10.1007/bf00806970