3-methyl-6-(3-methylphenyl)-imidazo<2,1-b><1,3>thiazole | 227007-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-6-(3-methylphenyl)-imidazo<2,1-b><1,3>thiazole
• 英文别名: 3-Methyl-6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole
• CAS: 227007-94-5
• 化学式: C₁₃H₁₂N₂S
• 分子量: 228.318
• InChiKey: DAVGSVYARDVIIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  45.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyl-6-(3-methylphenyl)-imidazo<2,1-b><1,3>thiazole 在 sodium nitrite 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 1.0h， 生成 3-Methyl-6-(3-methylphenyl)-5-nitrosoimidazo[2,1-b][1,3]thiazole
  参考文献：
  名称：

  Ring-ring interconversions. Part 2. Effect of the substituent on the rearrangement of 6-aryl-3-methyl-5-nitrosoimidazo[2,1-b][1,3]thiazoles into 8-aryl-8-hydroxy-5-methyl-8H-[1,4]thiazino[3,4-c][1,2,4]oxadiazol-3-ones. A novel class of potential antitumor agents

  摘要：

  The reaction of several 6-aryl-3-methyl-5-nitrosoimidazo[2,1-b][1,3]thiazoles with hydrochloric acid by refluxing in ethanol gives new 8-aryl-8-hydroxy-5-methyl-8H-[1,4]thiazino[3,4-c] [1,2,4]oxadiazol-3-ones for testing of their biological activity. By carrying out the reaction at room temperature it has been possible to isolate reaction intermediates to which structures have been assigned. This study has provided information on the reaction mechanism and on the effect of the substituent in the phenyl ring on the yield of the reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00189-1
• 作为产物：
  描述：

  2-氨基-4-甲基噻唑 、 2-溴-1-间甲苯-乙酮 在 氢溴酸 作用下， 生成 3-methyl-6-(3-methylphenyl)-imidazo<2,1-b><1,3>thiazole
  参考文献：
  名称：

  Ring-ring interconversions. Part 2. Effect of the substituent on the rearrangement of 6-aryl-3-methyl-5-nitrosoimidazo[2,1-b][1,3]thiazoles into 8-aryl-8-hydroxy-5-methyl-8H-[1,4]thiazino[3,4-c][1,2,4]oxadiazol-3-ones. A novel class of potential antitumor agents

  摘要：

  The reaction of several 6-aryl-3-methyl-5-nitrosoimidazo[2,1-b][1,3]thiazoles with hydrochloric acid by refluxing in ethanol gives new 8-aryl-8-hydroxy-5-methyl-8H-[1,4]thiazino[3,4-c] [1,2,4]oxadiazol-3-ones for testing of their biological activity. By carrying out the reaction at room temperature it has been possible to isolate reaction intermediates to which structures have been assigned. This study has provided information on the reaction mechanism and on the effect of the substituent in the phenyl ring on the yield of the reaction. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00189-1