1-[4-(trifluoromethyl)phenyl]-3-(2-(4-phenylthiazol-2-yl)phenyl)urea | 1248340-74-0

• 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: 1-[4-(trifluoromethyl)phenyl]-3-(2-(4-phenylthiazol-2-yl)phenyl)urea
• 英文别名: 1-[2-(4-Phenyl-1,3-thiazol-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea；1-[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• CAS: 1248340-74-0
• 化学式: C₂₃H₁₆F₃N₃OS
• 分子量: 439.461
• InChiKey: BKRRZADMCFBRRJ-UHFFFAOYSA-N

物化性质

• 熔点：
  250-251 °C
• 密度：
  1.387±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[4-(trifluoromethyl)phenyl]-3-(2-(4-phenylthiazol-2-yl)phenyl)urea 、 四丁基醋酸铵 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Thiazole-based chemosensor III: synthesis and fluorescence sensing of CH3CO2− based on inhibition of ESIPT

  摘要：

  Novel fluorogenic sensors based on urea derivative of 2-(2'-aminophenyl)-4-phenylthiazole (4 and 5) were prepared and used for recognition of anions with similar basicity and surface charge density. Chemosensor 4 was found to be highly selective to acetate ion over other anions. The selectivity was related to the structure matching between the host and the guest. The evaluation of the chemosensors' interaction with anions was performed by UV-vis and fluorescence titration. This acetate binding affinity was further tuned by varying the acidity of the N-H proton of the urea moiety in chemosensor 5. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.07.007
• 作为产物：
  描述：

  2-o-Aminophenyl-4-phenylthiazole 、 4-三氟甲基苯基异氰酸酯 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以93%的产率得到1-[4-(trifluoromethyl)phenyl]-3-(2-(4-phenylthiazol-2-yl)phenyl)urea
  参考文献：
  名称：

  Thiazole-based chemosensor III: synthesis and fluorescence sensing of CH3CO2− based on inhibition of ESIPT

  摘要：

  Novel fluorogenic sensors based on urea derivative of 2-(2'-aminophenyl)-4-phenylthiazole (4 and 5) were prepared and used for recognition of anions with similar basicity and surface charge density. Chemosensor 4 was found to be highly selective to acetate ion over other anions. The selectivity was related to the structure matching between the host and the guest. The evaluation of the chemosensors' interaction with anions was performed by UV-vis and fluorescence titration. This acetate binding affinity was further tuned by varying the acidity of the N-H proton of the urea moiety in chemosensor 5. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.07.007