3-ethyl-6-methyl-[1,2,4]triazolo[4,3-a]pyridine | 4919-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 英文名称: 3-ethyl-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
• 英文别名: 3-ethyl-6-methyl-[1,2,4]triazolo[4,3-a]pyridine；3-Ethyl-6-methyl-s-triazolo<4,3-a>pyridin；3-Ethyl-6-methyl[1,2,4]triazolo[4,3-a]pyridine
• CAS: 4919-19-1
• 化学式: C₉H₁₁N₃
• 分子量: 161.206
• InChiKey: BWAFXNWYWAUPHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-甲基吡啶 、 4-methyl-N'-propylidenebenzenesulfonohydrazide 在 叔丁基过氧化氢 、 碘 作用下， 以 癸烷 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-ethyl-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
  参考文献：
  名称：

  I 2 -TBHP催化一锅高效合成，从N-甲苯磺酰hydr和芳族N-杂环通过分子间形式的1,3-偶极环加成反应†

  摘要：

  开发了I 2 -TBHP催化的偶氮甲亚胺亚胺和随后的具有芳香族N-杂环的区域选择性1，3-偶极环加成（DC），以优异的产率提供了各种4，3-稠合的1,2,4-三唑。该方法操作简便且高效，具有宽泛的官能团耐受性。

  DOI：

  10.1039/c6ob01926a

文献信息

• Derivatives of 8-substituted xanthines
  申请人：Wang Guoquan

  公开号：US20070249598A1

  公开（公告）日：2007-10-25

  The present invention provides compounds and pharmaceutical compositions that are selective antagonists of A 2B adenosine receptors (ARs). These compounds and compositions are useful as pharmaceutical agents.

  本发明提供了选择性拮抗A2B腺苷受体（ARs）的化合物和药物组合物。这些化合物和组合物可用作药物制剂。
• 4-phenylpiperidines, their preparation and use
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US11028098B2

  公开（公告）日：2021-06-08

  The present invention provide a compound having the structure: (structurally represented) wherein R1, R2, R3, R4, and R5 are each independently H, halogen, CF3 or C1-C4 alkyl; R6 is H, OH, or halogen; B is a substituted or unsubstituted heterobicycle, pyridazine, pyrazole, pyrazine, thiadiazole, or triazole, wherein the heterocycle is other than chloro substituted indole; and the pyrazole, when substituted, is substituted with other than trifluoromethyl, or a pharmaceutically acceptable salt thereof.

  本发明提供一种具有以下结构的化合物：(结构表示）其中R1、R2、R3、R4和R5各自独立地为H、卤素、CF3或C1-C4烷基；R6为H、OH或卤素；B为取代或未取代的杂环、哒嗪、吡唑、吡嗪、噻二唑或三唑，其中杂环为氯取代的吲哚以外的杂环；吡唑被取代时为三氟甲基以外的取代基，或其药学上可接受的盐。
• 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20190031681A1

  公开（公告）日：2019-01-31

  The present invention provide a compound having the structure: (structurally represented) wherein R 1 , R 2 , R 3 , R 4 , and R 5 are each independently H, halogen, CF 3 or C 1 -C 4 alkyl; R 6 is H, OH, or halogen; B is a substituted or unsubstituted heterobicycle, pyridazine, pyrazole, pyrazine, thiadiazole, or triazole, wherein the heterocycle is other than chloro substituted indole; and the pyrazole, when substituted, is substituted with other than trifluoromethyl, or a pharmaceutically acceptable salt thereof.
• US7579348B2
  申请人：——

  公开号：US7579348B2

  公开（公告）日：2009-08-25
• I₂-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition
  作者：Surendra Babu Inturi、Biswajit Kalita、A. Jafar Ahamed

  DOI：10.1039/c6ob01926a

  日期：——

  I2-TBHP-catalyzed azomethine imine generation and subsequent regioselective 1,3-dipolar cycloaddition (DC) with aromatic N-heterocycles was developed to afford various 4,3-fused 1,2,4-triazoles in excellent yields. The method is operationally simple and highly efficient with broad functional group tolerance.

  开发了I 2 -TBHP催化的偶氮甲亚胺亚胺和随后的具有芳香族N-杂环的区域选择性1，3-偶极环加成（DC），以优异的产率提供了各种4，3-稠合的1,2,4-三唑。该方法操作简便且高效，具有宽泛的官能团耐受性。