5-carboxymethyl-3,4-diphenyl-1,2,4-triazole | 108841-00-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-carboxymethyl-3,4-diphenyl-1,2,4-triazole
• 英文别名: 3.4-Diphenyl-5-methoxycarbonyl-<1.2.4>triazol；4,5-diphenyl-4H-[1,2,4]triazole-3-carboxylic acid methyl ester；Methyl 4,5-diphenyl-1,2,4-triazole-3-carboxylate
• CAS: 108841-00-5
• 化学式: C₁₆H₁₃N₃O₂
• 分子量: 279.298
• InChiKey: FDMPJCUYPNYVPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  dimethyl (2Z)-2-[(C,N-diphenylcarbonimidoyl)hydrazinylidene]butanedioate 以 正丁醇 为溶剂， 反应 20.0h， 以38%的产率得到5-carboxymethyl-3,4-diphenyl-1,2,4-triazole
  参考文献：
  名称：

  Antiviral activity of the products of cyclization of dimethyl 2-[(1-arylamino-1-arylmethylidene)hydrazono]succinate

  摘要：

  In this research, conditions of cyclization of dimethyl 2-[(1-arylamino-1-arylme-thylidene)hydrazono]succinate 1-5 leading to the formation of 3,4-diaryl-5-carboxymethyl-1,2,4-triazole 6-10 and methyl 2-(5-oxo-3,4-diaryl-1,4,5,6-tetrahydro-1,2,4-triazine-6-ylidene)acetates 11-15 and the biological activity of some of them have been examined. Their chemical structures were confirmed by IR,H-1-NMR, EI-MS and elemental analysis. Substances 8 and 13 exhibited moderate virucidal activity and partially inhibited absorption of the viruses to the susceptible cells. The acute toxicity of compounds 6-10 was established. For compounds 8 and 13, the influence on the central nervous system of mice and rats in behavioral tests was examined. (C) 2001 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)01201-0