2-(4-nitrobenzothiazol-2'-ylamino)-4,6-dichloro-1,3,5-triazine | 1059176-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(4-nitrobenzothiazol-2'-ylamino)-4,6-dichloro-1,3,5-triazine
• CAS: 1059176-81-6
• 化学式: C₁₀H₄Cl₂N₆O₂S
• 分子量: 343.153
• InChiKey: STYJOBVRFPNBIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.44
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106.73
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-(4-nitrobenzothiazol-2'-ylamino)-4,6-dichloro-1,3,5-triazine 、 3-氯-4-氨基三氟甲苯 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以65%的产率得到2-(4-nitrobenzothiazol-2'-ylamino)-4-(2-chloro-4-trifluoromethylanilino)-6-chloro-1,3,5-triazine
  参考文献：
  名称：

  Synthesis of Some New 2-(4-Nitrobenzothiazol-2′-ylamino)-4-(2-chloro-4-trifluoromethylanilino)-6-(substituted Thioureido)-1,3,5-triazines as Antifungal Agents

  摘要：

  Some new 2-(4-nitrobenzothiazol-2'-ylamino)-4-(2-chloro-4-trifluoro-methylanilino)-6-(substituted thioureido)-1,3,5-triazine 4 have been prepared by reacting 2,4,6-trichloro-1,3,5-triazine with nucleophilic reagents, 2-amino-4-nitrobenzothiazol 1,2-chloro-4-trifluorornethylaniline 2 and different substituted thioureas 3 to give the title compound. These compounds are evaluated for their antimicrobial activity. The structure of all of these compounds has been confirmed by IR, H-1 NMR, F-19 NMR, mass spectral data and elemental analysis.

  DOI：

  10.1080/10426500701544474
• 作为产物：
  描述：

  三聚氯氰 、 4-硝基-1,3-苯并噻唑-2-胺 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以71%的产率得到2-(4-nitrobenzothiazol-2'-ylamino)-4,6-dichloro-1,3,5-triazine
  参考文献：
  名称：

  Synthesis of Some New 2-(4-Nitrobenzothiazol-2′-ylamino)-4-(2-chloro-4-trifluoromethylanilino)-6-(substituted Thioureido)-1,3,5-triazines as Antifungal Agents

  摘要：

  Some new 2-(4-nitrobenzothiazol-2'-ylamino)-4-(2-chloro-4-trifluoro-methylanilino)-6-(substituted thioureido)-1,3,5-triazine 4 have been prepared by reacting 2,4,6-trichloro-1,3,5-triazine with nucleophilic reagents, 2-amino-4-nitrobenzothiazol 1,2-chloro-4-trifluorornethylaniline 2 and different substituted thioureas 3 to give the title compound. These compounds are evaluated for their antimicrobial activity. The structure of all of these compounds has been confirmed by IR, H-1 NMR, F-19 NMR, mass spectral data and elemental analysis.

  DOI：

  10.1080/10426500701544474