2-(4-bromophenyl)-4-methyl-1,2,3-triazole | 13322-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-bromophenyl)-4-methyl-1,2,3-triazole
• 英文别名: 2-(4-bromophenyl)-4-methyl-2H-1,2,3-triazole；2-<4-Brom-phenyl>-4-methyl-1,2,3-triazol；2-<4-Brom-phenyl>-4-methyl-2H-1,2,3-triazol；2-(p-Bromphenyl)-4-methyl-2H-1,2,3-triazol；2-(4-Brom-phenyl)-4-methyl-2H-[1,2,3]triazol；2-(4-bromophenyl)-4-methyltriazole
• CAS: 13322-05-9
• 化学式: C₉H₈BrN₃
• 分子量: 238.087
• InChiKey: BTXPJEJHYCPZGD-UHFFFAOYSA-N

物化性质

• 熔点：
  65 °C
• 沸点：
  342.8±44.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-bromophenyl)-4-methyl-1,2,3-triazole 、 联硼酸频那醇酯 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以98%的产率得到4-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2H-1,2,3-triazole
  参考文献：
  名称：

  FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS

  摘要：

  本发明涉及一种新型羟羧酸衍生物的类别，其作为LpxC抑制剂的用途，更具体地说，其用于治疗细菌感染。

  公开号：

  US20120232083A1
• 作为产物：
  描述：

  4-methyl-2-phenyl-2H-1,2,3-triazole 在 溴 作用下， 生成 2-(4-bromophenyl)-4-methyl-1,2,3-triazole
  参考文献：
  名称：

  Ponzio, Gazzetta Chimica Italiana, 1899, vol. 29 I, p. 283

  摘要：

  DOI：

文献信息

• Fluoro-pyridinone derivatives useful as antibacterial agents
  申请人：Pfizer Inc.

  公开号：US08779148B2

  公开（公告）日：2014-07-15

  The present invention is directed to a new class of hydroxamic acid derivatives, their use as LpxC inhibitors and, more specifically, their use to treat bacterial infections.

  本发明涉及一种新的羟肟酸衍生物类，其作为LpxC抑制剂的用途，更具体地，其用于治疗细菌感染。
• [EN] TRICYCLIC COMPOUNDS<br/>[FR] COMPOSÉS TRICYCLIQUES
  申请人：ALIGOS THERAPEUTICS INC

  公开号：WO2022115384A1

  公开（公告）日：2022-06-02

  Provided herein are compounds of Formula (I), or pharmaceutically acceptable salts thereof, pharmaceutical compositions that include a compound described herein (including pharmaceutically acceptable salts of a compound described herein) and methods of synthesizing the same. Also provided herein are methods of treating diseases and/or conditions with a compound of Formula (I), or a pharmaceutically acceptable salt thereof.

  本文提供了公式(I)的化合物或其药学上可接受的盐，包括本文所描述的化合物(包括其药学上可接受的盐)的制药组合物和合成方法。本文还提供了使用公式(I)的化合物或其药学上可接受的盐治疗疾病和/或病症的方法。
• US8624034B2
  申请人：——

  公开号：US8624034B2

  公开（公告）日：2014-01-07
• US8779148B2
  申请人：——

  公开号：US8779148B2

  公开（公告）日：2014-07-15
• OREXIN RECEPTOR AGONISTS
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2024107615A1

  公开（公告）日：2024-05-23

  The present invention is directed to compounds of Formula I which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.