3-methyl-N-(2-(((E)-4-methylbenzylidene)amino)thiazol-4-yl)-5-((E)-styryl)isoxazol-4-amine | 1186059-94-8

• 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: 3-methyl-N-(2-(((E)-4-methylbenzylidene)amino)thiazol-4-yl)-5-((E)-styryl)isoxazol-4-amine
• CAS: 1186059-94-8
• 化学式: C₂₃H₂₀N₄OS
• 分子量: 400.504
• InChiKey: YFAGPCAGARHHFW-PPZDZUQXSA-N

物化性质

• 熔点：
  98 °C
• 沸点：
  595.6±60.0 °C(predicted)
• 密度：
  1.22±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  63.31
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-methyl-N-(2-(((E)-4-methylbenzylidene)amino)thiazol-4-yl)-5-((E)-styryl)isoxazol-4-amine 、 巯基乙酸 在 zinc(II) chloride 作用下， 以 1,4-二氧六环 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Synthesis of 3-[4-({Methyl-5-[(E)-2-phenyl-1-ethenyl]-4-isoxazolyl}amino)-1,3-thiazol-2-yl]-2-aryl-1,3-thiazolan-4-ones as Potential Biodynamic Agents

  摘要：

  A series of isoxazolyl thiazolyl thiazolidinones (4a-h) were synthesized starting from isoxazolyl chloroacetamide 1. Compound 1 upon heating with thiourea in ethanol furnished N4-{3-methyl-5-[(E)-2-phenyl-1-ethenyl]-4-isoxazolyl]-1,3-thiazole-2,4-diamine 2. Condensation of 2 with aromatic aldehydes afforded corresponding Schiff bases (3a-h), which undergo cyclocondensation on treatment with mercaptoacetic acid to give 3-[4-({methyl-5-(E)-2-phenyl-1-ethenyl]-4-isoxazolyl] amino)-1,3-thiazol-2-yl]-2-aryl-1, 3-thiazolyl -4-ones (4a-h) in excellent yields. Structures of all the synthesized compounds have been established by elemental analyses, IR, 1H NMR, and mass spectral data.

  DOI：

  10.1080/10426500802273999
• 作为产物：
  描述：

  N4-{3-methyl-5-[(E)-2-phenyl-1-ethenyl]-4-isoxazolyl}-1,3-thiazole-2,4-diamine 、 对甲基苯甲醛 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以80%的产率得到3-methyl-N-(2-(((E)-4-methylbenzylidene)amino)thiazol-4-yl)-5-((E)-styryl)isoxazol-4-amine
  参考文献：
  名称：

  Synthesis of 3-[4-({Methyl-5-[(E)-2-phenyl-1-ethenyl]-4-isoxazolyl}amino)-1,3-thiazol-2-yl]-2-aryl-1,3-thiazolan-4-ones as Potential Biodynamic Agents

  摘要：

  A series of isoxazolyl thiazolyl thiazolidinones (4a-h) were synthesized starting from isoxazolyl chloroacetamide 1. Compound 1 upon heating with thiourea in ethanol furnished N4-{3-methyl-5-[(E)-2-phenyl-1-ethenyl]-4-isoxazolyl]-1,3-thiazole-2,4-diamine 2. Condensation of 2 with aromatic aldehydes afforded corresponding Schiff bases (3a-h), which undergo cyclocondensation on treatment with mercaptoacetic acid to give 3-[4-({methyl-5-(E)-2-phenyl-1-ethenyl]-4-isoxazolyl] amino)-1,3-thiazol-2-yl]-2-aryl-1, 3-thiazolyl -4-ones (4a-h) in excellent yields. Structures of all the synthesized compounds have been established by elemental analyses, IR, 1H NMR, and mass spectral data.

  DOI：

  10.1080/10426500802273999