3-(3-chloro-phenyl)-1-methyl-5-o-tolyl-1H-[1,2,4]triazole | 40993-75-7

• 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-(3-chloro-phenyl)-1-methyl-5-o-tolyl-1H-[1,2,4]triazole
• 英文别名: 1-methyl-3-(3-chlorophenyl)-5-(o-tolyl)-1,2,4-triazole；1-Methyl-3-(3-chlorphenyl)-5-(o-tolyl)-1,2,4-triazol；3-(3-chlorophenyl)-1-methyl-5-(2-methylphenyl)-1,2,4-triazole
• CAS: 40993-75-7
• 化学式: C₁₆H₁₄ClN₃
• 分子量: 283.76
• InChiKey: ATMKEHSKPQDIFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-甲基-1-(2-甲基苯基)肼 、 ethyl 3-chlorobenzimidate 、 盐酸 、 钠 、 乙醇 在 乙醇 、 3-氯苯腈 、 乙醚 、 disodium;carbonate 、 盐酸 、 水 、 Sodium sulfate-III 作用下， 反应 24.0h， 生成 3-(3-chloro-phenyl)-1-methyl-5-o-tolyl-1H-[1,2,4]triazole
  参考文献：
  名称：

  Process for preparing substituted 1,2,4-triazole derivatives

  摘要：

  新的1-烷基-3,5-二取代-1,2,4-三唑衍生物具有以下公式I：##STR1## 其中R可以表示苯基；苯基被从（C.sub.1-4）烷基，例如甲基，乙基，丙基，异丙基，丁基，仲丁基，异丁基或叔丁基中选择的基团取代，（C.sub.1-4）烷氧基，例如甲氧基，乙氧基，丙氧基，丁氧基，异丁氧基或叔丁氧基，氟，氯，溴，硝基，氨基，氰基，氨基甲酰，羧基，羟甲基，亚甲二氧基和三氟甲基；二氯苯基；二甲氧基苯基；3,4,5-三甲氧基苯基；R.sub.1可以表示苯基，苯基被从上述定义的（C.sub.1-4）烷基，（C.sub.1-4）烷氧基，氟，氯，溴，羟甲基，（C.sub.2-4）脂肪酰氧甲基，例如乙酰氧甲基，丙酰氧甲基或丁酰氧甲基，氨基甲酰氧甲基，溴甲基和二甲胺基甲基中选择的基团取代；二甲基苯基；二甲氧基苯基；同时被o-羟甲基和氯取代的苯基；R.sub.2代表上述定义的（C.sub.1-4）烷基。前提是R和R.sub.1不能同时表示苯基；并且当R为苯基时，R.sub.1不能是对氯苯基。其制备方法也在文中描述。该发明的化合物具有中枢神经系统抑制剂的用途。它们特别适用于镇静和催眠药。该发明的一些化合物也可用作缓解焦虑的手段。

  公开号：

  US04151169A1

文献信息

• Substituted 1,2,4-triazole derivatives
  申请人：Gruppo Lepetit S.p.A.

  公开号：US04119635A1

  公开（公告）日：1978-10-10

  New 1-alkyl-3,5-disubstituted-1,2,4-triazole derivatives of following formula I ##STR1## wherein R may represent phenyl; phenyl substituted by a radical selected from (C.sub.1-4)alkyl, e.g. methyl, ethyl, propyl, isopropyl, butyl, sec.-butyl, isobutyl or tert.-butyl, (C.sub.1-4)alkoxy, e.g. methoxy, ethoxy, propoxy, butoxy, isobutyloxy or tert.-butoxy, fluoro, chloro, bromo, nitro, amino, cyano, carbamoyl, carboxy, hydroxymethyl, methylenedioxy and trifluoromethyl; dichlorophenyl; dimethoxyphenyl; 3,4,5-trimethoxyphenyl; R.sub.1 may represent phenyl, phenyl substituted by a radical selected from (C.sub.1-4)alkyl as above defined, (C.sub.1-4)alkoxy as above defined; fluoro, chloro, bromo, hydroxymethyl, (C.sub.2-4)aliphatic acyloxymethyl, e.g. acetoxymethyl, propionyloxymethyl or butyryloxymethyl, carbamoyloxymethyl, bromomethyl and dimethylaminomethyl; dimethylphenyl; dimethoxyphenyl; phenyl contemporaneously substituted by o-hydroxymethyl and chloro; R.sub.2 represents a (C.sub.1-4)alkyl group as above defined; With the proviso that R and R.sub.1 cannot simultaneously represent phenyl; With the further proviso that, when R is phenyl, R.sub.1 cannot be p-chlorophenyl; And processes for their preparation. The compounds of the invention have CNS depressant utility. They are especially useful as sedatives and hypnotics. Some of the compounds of the invention are also useful as anxiety relieving means.

  以下是公式I的新型1-烷基-3,5-二取代-1,2,4-三唑衍生物：##STR1## 其中，R可以代表苯基；苯基被选自(C.sub.1-4)烷基，例如甲基、乙基、丙基、异丙基、丁基、叔丁基、异丁基或叔-丁基，(C.sub.1-4)烷氧基，例如甲氧基、乙氧基、丙氧基、丁氧基、异丁氧基或叔-丁氧基，氟、氯、溴、硝基、氨基、氰基、氨甲酰基、羧基、羟甲基、亚甲二氧基和三氟甲基的基团取代；二氯苯基；二甲氧基苯基；3,4,5-三甲氧基苯基；R.sub.1可以代表苯基，苯基被选自上述定义的(C.sub.1-4)烷基，(C.sub.1-4)烷氧基，如上所述；氟、氯、溴、羟甲基、(C.sub.2-4)脂肪酰氧甲基，例如乙酰氧甲基、丙酰氧甲基或丁酰氧甲基，氨甲酰氧甲基，溴甲基和二甲氨基甲基的基团取代；二甲基苯基；二甲氧基苯基；同时被o-羟甲基和氯取代的苯基；R.sub.2代表上述定义的(C.sub.1-4)烷基；前提是R和R.sub.1不能同时代表苯基；进一步前提是，当R为苯基时，R.sub.1不能为对-氯苯基；以及它们的制备方法。本发明的化合物具有中枢神经系统抑制剂的用途。它们特别适用于镇静剂和催眠剂。本发明的一些化合物也可用作缓解焦虑的手段。
• US4119635A
  申请人：——

  公开号：US4119635A

  公开（公告）日：1978-10-10
• US4151169A
  申请人：——

  公开号：US4151169A

  公开（公告）日：1979-04-24
• Process for preparing substituted 1,2,4-triazole derivatives
  申请人：Gruppo Lepetit

  公开号：US04151169A1

  公开（公告）日：1979-04-24

  New 1-alkyl-3,5-disubstituted-1,2,4-triazole derivatives of following formula I ##STR1## wherein R may represent phenyl; phenyl substituted by a radical selected from (C.sub.1-4)alkyl, e.g. methyl, ethyl, propyl, isopropyl, butyl, sec.-butyl, isobutyl or tert.-butyl, (C.sub.1-4)alkoxy, e.g. methoxy, ethoxy, propoxy, butoxy, isobutyloxy or tert.-butoxy, fluoro, chloro, bromo, nitro, amino, cyano, carbamoyl, carboxy, hydroxymethyl, methylenedioxy and trifluoromethyl; dichlorophenyl; dimethoxyphenyl; 3,4,5-trimethoxyphenyl; R.sub.1 may represent phenyl, phenyl substituted by a radical selected from (C.sub.1-4)alkyl as above defined, (C.sub.1-4)alkoxy as above defined, fluoro, chloro, bromo, hydroxymethyl, (C.sub.2-4)aliphatic acyloxymethyl, e.g. acetoxymethyl, propionyloxymethyl or butyryloxymethyl, carbamoyloxymethyl, bromomethyl and dimethylaminomethyl; dimethylphenyl; dimethoxyphenyl; phenyl contemporaneously substituted by o-hydroxymethyl and chloro; R.sub.2 represents a (C.sub.1-4)alkyl group as above defined; with the proviso that R and R.sub.1 cannot simultaneously represent phenyl; With the further proviso that, when R is phenyl, R.sub.1 cannot be p-chlorophenyl; and processes for their preparation. The compound of the invention have CNS depressant utility. They are especially useful as sedatives and hypnotics. Some of the compounds of the invention are also useful as anxiety relieving means.

  新的1-烷基-3,5-二取代-1,2,4-三唑衍生物具有以下公式I：##STR1## 其中R可以表示苯基；苯基被从（C.sub.1-4）烷基，例如甲基，乙基，丙基，异丙基，丁基，仲丁基，异丁基或叔丁基中选择的基团取代，（C.sub.1-4）烷氧基，例如甲氧基，乙氧基，丙氧基，丁氧基，异丁氧基或叔丁氧基，氟，氯，溴，硝基，氨基，氰基，氨基甲酰，羧基，羟甲基，亚甲二氧基和三氟甲基；二氯苯基；二甲氧基苯基；3,4,5-三甲氧基苯基；R.sub.1可以表示苯基，苯基被从上述定义的（C.sub.1-4）烷基，（C.sub.1-4）烷氧基，氟，氯，溴，羟甲基，（C.sub.2-4）脂肪酰氧甲基，例如乙酰氧甲基，丙酰氧甲基或丁酰氧甲基，氨基甲酰氧甲基，溴甲基和二甲胺基甲基中选择的基团取代；二甲基苯基；二甲氧基苯基；同时被o-羟甲基和氯取代的苯基；R.sub.2代表上述定义的（C.sub.1-4）烷基。前提是R和R.sub.1不能同时表示苯基；并且当R为苯基时，R.sub.1不能是对氯苯基。其制备方法也在文中描述。该发明的化合物具有中枢神经系统抑制剂的用途。它们特别适用于镇静和催眠药。该发明的一些化合物也可用作缓解焦虑的手段。