2-(4-chlorophenyl)-3,6-dimethylquinoxaline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(4-chlorophenyl)-3,6-dimethylquinoxaline
• 英文别名: 2-(4-Chlorophenyl)-3,6-dimethylquinoxaline
• 化学式: C₁₆H₁₃ClN₂
• 分子量: 268.746
• InChiKey: ZPDXDEOGCYLLRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-chloro-4-(2-nitropropenyl)benzene 、 3,4-二氨基甲苯 在 silica gel 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 2-(4-chlorophenyl)-3,6-dimethylquinoxaline 、 3-(4-chlorophenyl)-2,6-dimethylquinoxaline
  参考文献：
  名称：

  Chemoselective synthesis of quinoxalines and benzimidazoles by silica gel catalysis

  摘要：

  Treatment of nitroolefins and o-phenylenediamine with silica gel catalyst produced quinoxalines mainly in THF, but gave benzimidazoles efficiently in water. Such a solvent-dependent chemoselective reaction has prominent features of affording two cyclized products selectively with the same substrate, short reaction time, operational simplicity, as well as available starting materials and nontoxic catalysts. In addition, the scope and limitations were explored and a plausible reaction mechanism is proposed. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.08.022

文献信息

• QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS
  申请人：Boyce Christopher W.

  公开号：US20130303517A1

  公开（公告）日：2013-11-14

  The invention provides certain quinoxalines and aza-quinoxalines of the Formula (I), and their pharmaceutically acceptable salts, wherein J 1 , J 2 , R 1 , R 2 , R 3 , R 22 , R a , R b , R c , R d , X, Y, b, n, and q are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions associated with uncontrolled or inappropriate stimulation of CRTH 2 function.

  本发明提供了式（I）的某些喹喔啉和氮杂喹喔啉，以及其药学上可接受的盐，其中J1、J2、R1、R2、R3、R22、Ra、Rb、Rc、Rd、X、Y、b、n和q如本文所定义。本发明还提供了包含这些化合物的制药组合物，并使用这些化合物治疗与CRTH2功能不受控制或不适当刺激相关的疾病或病症的方法。
• US9469615B2
  申请人：——

  公开号：US9469615B2

  公开（公告）日：2016-10-18
• Chemoselective synthesis of quinoxalines and benzimidazoles by silica gel catalysis
  作者：Chunmei Li、Furen Zhang、Zhen Yang、Chenze Qi

  DOI：10.1016/j.tetlet.2014.08.022

  日期：2014.10

  Treatment of nitroolefins and o-phenylenediamine with silica gel catalyst produced quinoxalines mainly in THF, but gave benzimidazoles efficiently in water. Such a solvent-dependent chemoselective reaction has prominent features of affording two cyclized products selectively with the same substrate, short reaction time, operational simplicity, as well as available starting materials and nontoxic catalysts. In addition, the scope and limitations were explored and a plausible reaction mechanism is proposed. (C) 2014 Elsevier Ltd. All rights reserved.