N-(4-nitrophenyl)-N'-(6-nitrobenzothiazol-2-yl)urea | 337531-19-8

• 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: N-(4-nitrophenyl)-N'-(6-nitrobenzothiazol-2-yl)urea
• 英文别名: N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(4-nitrophenyl)urea；1-(6-Nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea
• CAS: 337531-19-8
• 化学式: C₁₄H₉N₅O₅S
• 分子量: 359.322
• InChiKey: DMQTXHOZSLAQTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  174
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,5-二溴吡啶 、 N-(4-nitrophenyl)-N'-(6-nitrobenzothiazol-2-yl)urea 在 吡啶 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 6.0h， 以55%的产率得到N,N'-bis (5-bromo-2-pyridinyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(4-nitrophenyl)urea
  参考文献：
  名称：

  Urea and thiourea compounds useful for treatment of coccidiosis

  摘要：

  本发明涉及新化合物，包括含有该化合物的药物组合物，以及治疗寄生虫病的方法，其中该化合物被施用。该化合物特别适用于治疗禽类球虫病，其通用式为（I）：其中Y是S或O，R如规范中所定义。

  公开号：

  US06875764B1
• 作为产物：
  描述：

  2-氨基-6-硝基苯并噻唑 、 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 0.07h， 以85%的产率得到N-(4-nitrophenyl)-N'-(6-nitrobenzothiazol-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

• US6875764B1
  申请人：——

  公开号：US6875764B1

  公开（公告）日：2005-04-05
• 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.
• Urea and thiourea compounds useful for treatment of coccidiosis
  申请人：Muzi Sabrina

  公开号：US06875764B1

  公开（公告）日：2005-04-05

  The present invention relates to novel compounds, pharmaceutical compositions containing the same as well as a method for treatment of parasitic disorders, wherein said compounds are administered. The present compounds are especially well suited for treatment of coccidiosis, particularly in poultry, and they have general formula (I): where Y is S or O and R is as defined in the specification.

  本发明涉及新化合物，包括含有该化合物的药物组合物，以及治疗寄生虫病的方法，其中该化合物被施用。该化合物特别适用于治疗禽类球虫病，其通用式为（I）：其中Y是S或O，R如规范中所定义。