N,N-dimethyl-4-[5-ethyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-benzeneamine | 82020-42-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N,N-dimethyl-4-[5-ethyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-benzeneamine
• 英文别名: 3-ethyl-4-(4-methoxyphenyl)-5-[4-(N,N-dimethylamino)-phenyl]-4H-1,2,4-triazole；4-[5-ethyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N,N-dimethylaniline
• CAS: 82020-42-6
• 化学式: C₁₉H₂₂N₄O
• 分子量: 322.41
• InChiKey: KYFWEXJKWCFKDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-4-[5-ethyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-benzeneamine 在 氢溴酸 作用下， 以40%的产率得到4-[3-(4-Dimethylamino-phenyl)-5-ethyl-[1,2,4]triazol-4-yl]-phenol
  参考文献：
  名称：

  Clemence; Joliveau-Maushart; Meier, European Journal of Medicinal Chemistry, 1985, vol. 20, # 3, p. 257 - 266

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(dimethylamino)-N-(4-methoxyphenyl)benzenecarboximidoyl chloride 、 丙酸肼 在 三乙胺 作用下， 以 甲苯 为溶剂， 生成 N,N-dimethyl-4-[5-ethyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]-benzeneamine
  参考文献：
  名称：

  Clemence; Joliveau-Maushart; Meier, European Journal of Medicinal Chemistry, 1985, vol. 20, # 3, p. 257 - 266

  摘要：

  DOI：

文献信息

• Novel 4H-1,2,4-triazole derivatives
  申请人：Roussel Uclaf

  公开号：US04659729A1

  公开（公告）日：1987-04-21

  Compounds selected from the group consisting of 4H-1,2,4-triazoles of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3 and R.sub.4 may be in different positions of the benzene ring, R.sub.1, R.sub.3 and R.sub.4 are individually selected from the group consisting of hydrogen, --OH, alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms, halogen, --CF.sub.3, --NO.sub.2, --NH.sub.2 and NH--AlK and ##STR2## R.sub.2 is selected from the group consisting of hydrogen, --OH, alkyl of 1 to 4 carbon atoms, halogen, --CF.sub.3, --NO.sub.2, --NH.sub.2, --NH--AlK and ##STR3## and AlK, AlK.sub.1 and AlK.sub.2 are alkyl of 1 to 4 carbon atoms or R.sub.1 and R.sub.2 together and/or R.sub.3 and R.sub.4 together are methylenedioxy, R is selected from the group consisting of ethyl, --CH.sub.2 --COOH and CH.sub.2 --COOAlK.sub.3 and AlK.sub.3 is alkyl of 1 to 4 carbon atoms and their non-toxic, pharmaceutically acceptable acid addition salts, with the proviso that R.sub.1, R.sub.2, R.sub.3 and R.sub.4 are not all hydrogen having a remarkable analgesic activity and a novel method for their preparation.

  从4H-1,2,4-三唑类化合物中选择的化合物，其化学式为##STR1##其中R.sub.1，R.sub.2，R.sub.3和R.sub.4可能位于苯环的不同位置，R.sub.1，R.sub.3和R.sub.4分别选自氢，-OH，1至4个碳原子的烷基，1至4个碳原子的烷氧基，卤素，-CF.sub.3，-NO.sub.2，-NH.sub.2和NH-AlK和##STR2##R.sub.2选自氢，-OH，1至4个碳原子的烷基，卤素，-CF.sub.3，-NO.sub.2，-NH.sub.2，-NH-AlK和##STR3##和AlK，AlK.sub.1和AlK.sub.2是1至4个碳原子的烷基，或R.sub.1和R.sub.2一起和/或R.sub.3和R.sub.4一起是亚甲二氧基，R选自乙基，-CH.sub.2-COOH和CH.sub.2-COOAlK.sub.3的群，AlK.sub.3是1至4个碳原子的烷基及其无毒、药用可接受的酸盐，但R.sub.1，R.sub.2，R.sub.3和R.sub.4不能都是具有显著镇痛活性和新颖制备方法的氢。
• 4,5-Bis(aryl)-4H-1,2,4-triazole derivatives and analgesic use
  申请人：Roussel Uclaf

  公开号：US04512997A1

  公开（公告）日：1985-04-23

  Novel 4H-1,2,4-triazoles of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3 and R.sub.4 may be in different positions of the benzene rings and are individually selected from the group consisting of hydrogen, --OH, alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms, halogen, --CF.sub.3, --NO.sub.2, --NH.sub.2 and --NH--AlK and ##STR2## and AlK, AlK.sub.1 and AlK.sub.2 are alkyl of 1 to 4 carbon atoms or R.sub.1 and R.sub.2 together and/or R.sub.3 and R.sub.4 together are methylenedioxy, R is selected from the group consisting hydrogen, alkyl of 1 to 4 carbon atoms, --CH.sub.2 --COOH and --CH.sub.2 --COOAlK.sub.3 and AlK.sub.3 is alkyl of 1 to 4 carbon atoms and their non-toxic, pharmaceutically acceptable acid addition salts having a remarkable analgesic activity and a novel method for their preparation.

  4H-1,2,4-三唑类新化合物的分子式为##STR1##其中R.sub.1、R.sub.2、R.sub.3和R.sub.4可以位于苯环的不同位置，分别选择自氢、--OH、1至4个碳原子的烷基、1至4个碳原子的烷氧基、卤素、--CF.sub.3、--NO.sub.2、--NH.sub.2和--NH--AlK和##STR2##以及AlK，AlK.sub.1和AlK.sub.2是1至4个碳原子的烷基，或者R.sub.1和R.sub.2一起和/或R.sub.3和R.sub.4一起是亚甲二氧基，R选择自氢、1至4个碳原子的烷基、--CH.sub.2 --COOH和--CH.sub.2 --COOAlK.sub.3，AlK.sub.3是1至4个碳原子的烷基，它们的无毒、药学上可接受的酸盐具有显著的镇痛活性，以及它们的制备新方法。
• CLEMENCE, F.;JOLIVEAU-MAUSHART, C.;MEIER, J.;CEREDE, J.;DELEVALLEE, F.;BE+, EUR. J. MED. CHEM., 1985, 20, N 3, 257-266
  作者：CLEMENCE, F.、JOLIVEAU-MAUSHART, C.、MEIER, J.、CEREDE, J.、DELEVALLEE, F.、BE+

  DOI：——

  日期：——
• US4512997A
  申请人：——

  公开号：US4512997A

  公开（公告）日：1985-04-23
• US4659729A
  申请人：——

  公开号：US4659729A

  公开（公告）日：1987-04-21