2-(4-nitrobenzothiazol-2'-ylamino)-4-(2-chloro-4-trifluoromethylanilino)-6-chloro-1,3,5-triazine | 1059176-82-7

• 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: 2-(4-nitrobenzothiazol-2'-ylamino)-4-(2-chloro-4-trifluoromethylanilino)-6-chloro-1,3,5-triazine
• CAS: 1059176-82-7
• 化学式: C₁₇H₈Cl₂F₃N₇O₂S
• 分子量: 502.263
• InChiKey: QUJBPWNFYCYUHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  118.76
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-(4-nitrobenzothiazol-2'-ylamino)-4-(2-chloro-4-trifluoromethylanilino)-6-chloro-1,3,5-triazine 、 氨基硫脲 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 以70%的产率得到1-Amino-3-[4-[2-chloro-4-(trifluoromethyl)anilino]-6-[(4-nitro-1,3-benzothiazol-2-yl)amino]-1,3,5-triazin-2-yl]thiourea
  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：

  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