3-(p-chlorophenyl)-5-p-tolyl-4-(2-fluoro-4-chlorobenzylamino)-4H-1,2,4-triazole | 1084712-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(p-chlorophenyl)-5-p-tolyl-4-(2-fluoro-4-chlorobenzylamino)-4H-1,2,4-triazole
• CAS: 1084712-43-5
• 化学式: C₂₂H₁₇Cl₂FN₄
• 分子量: 427.308
• InChiKey: UGIDXLKWQDGHJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.11
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  42.74
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-(p-chlorophenyl)-5-p-tolyl-4-(2-fluoro-4-chlorobenzylamino)-4H-1,2,4-triazole 、 4-硝基邻苯二甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以53%的产率得到4-{(4-chloro-2-fluorobenzyl)[3-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl]amino}phthalonitrile
  参考文献：
  名称：

  Novel metallophthalocyanines bearing 3-(p-chlorophenyl)-5-p-tolyl-4H-1,2,4-triazole bulky substituents by microwave irradiation

  摘要：

  The synthesis of metallophthalocyanines [6-9; M = Ni(II), Zn(II), Co(II) and Cu(II)] with four 1,2,4-triazole units obtained from 4-{(4-chloro-2-fluorobenzyl)[3-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl] amino} phthalonitrile (5) in the presence of dimethylaminoethanol and the corresponding anhydrous metal salts is described. The thermal stabilities of the Pc compounds were determined by thermogravimetric analysis. The new compounds were characterized by a combination of IR, H-1 NMR, C-13 NMR, UV-Vis, elemental analysis. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.08.007
• 作为产物：
  描述：

  3-(p-chlorophenyl)-5-p-tolyl-4-(2-fluoro-4-chlorobenzylideneamino)-4H-1,2,4-triazole 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以95%的产率得到3-(p-chlorophenyl)-5-p-tolyl-4-(2-fluoro-4-chlorobenzylamino)-4H-1,2,4-triazole
  参考文献：
  名称：

  Novel metallophthalocyanines bearing 3-(p-chlorophenyl)-5-p-tolyl-4H-1,2,4-triazole bulky substituents by microwave irradiation

  摘要：

  The synthesis of metallophthalocyanines [6-9; M = Ni(II), Zn(II), Co(II) and Cu(II)] with four 1,2,4-triazole units obtained from 4-{(4-chloro-2-fluorobenzyl)[3-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-4-yl] amino} phthalonitrile (5) in the presence of dimethylaminoethanol and the corresponding anhydrous metal salts is described. The thermal stabilities of the Pc compounds were determined by thermogravimetric analysis. The new compounds were characterized by a combination of IR, H-1 NMR, C-13 NMR, UV-Vis, elemental analysis. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.08.007