N-(4-nitrophenyl)-N'-(6-methylbenzothiazol-2-yl)urea | 476324-40-0

• 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: N-(4-nitrophenyl)-N'-(6-methylbenzothiazol-2-yl)urea
• 英文别名: 1-(6-Methyl-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea
• CAS: 476324-40-0
• 化学式: C₁₅H₁₂N₄O₃S
• 分子量: 328.351
• InChiKey: AEJUCECBPOWWQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-6-甲基苯并噻唑 、 N-(4-硝基苯基)-2,2,2-三氯乙酰胺 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 0.1h， 以64%的产率得到N-(4-nitrophenyl)-N'-(6-methylbenzothiazol-2-yl)urea
  参考文献：
  名称：

  Microwave Promoted Environmentally Benign Synthesis of 2-Aminobenzothiazoles and Their Urea Derivatives

  摘要：

  2-Aminobenzothiazoles were efficiently synthesized using stable, crystalline tetrabutylammonium tribromide instead of toxic, corrosive liquid bromine under solvent-free and microwave irradiation condition. Furthermore, benzothiazol-2-ylureas were synthesized in good to high yield by reactions of 2-aminobenzothiazoles with N-trichloroacetanilides, which were used as a substitute for toxic, unstable isocyanates, under microwave irradiation condition. This protocol has advantages of no utilization of hazardous chemicals, rapid reaction rate, high yield, and easy work-up procedure.

  DOI：

  10.1080/10426500701578506

文献信息

• Microwave Promoted Environmentally Benign Synthesis of 2-Aminobenzothiazoles and Their Urea Derivatives
  作者：Zheng Li、Shuxiu Xiao、Guoqiang Tian、Anguo Zhu、Xu Feng、Jing Liu

  DOI：10.1080/10426500701578506

  日期：2008.4.18

  2-Aminobenzothiazoles were efficiently synthesized using stable, crystalline tetrabutylammonium tribromide instead of toxic, corrosive liquid bromine under solvent-free and microwave irradiation condition. Furthermore, benzothiazol-2-ylureas were synthesized in good to high yield by reactions of 2-aminobenzothiazoles with N-trichloroacetanilides, which were used as a substitute for toxic, unstable isocyanates, under microwave irradiation condition. This protocol has advantages of no utilization of hazardous chemicals, rapid reaction rate, high yield, and easy work-up procedure.