(3,7-dimethyl-1,4-dioxy-quinoxalin-2-yl)-phenyl-methanone | 60680-36-6

• 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: (3,7-dimethyl-1,4-dioxy-quinoxalin-2-yl)-phenyl-methanone
• 英文别名: 1,4-Dihydroxy-3,7-dimethylquinoxalin-2-yl phenyl ketone；(3,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-phenylmethanone
• CAS: 60680-36-6
• 化学式: C₁₇H₁₄N₂O₃
• 分子量: 294.31
• InChiKey: AVMRZJHGUXMWFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 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：
  63.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3,7-dimethyl-1,4-dioxy-quinoxalin-2-yl)-phenyl-methanone 以9%的产率得到
  参考文献：
  名称：

  JARRAR A. A.; HALAWI S. S.; HADDADIN M. J., HETEROCYCLES, 1976, 4, NO 6, 1077-1082

  摘要：

  DOI：
• 作为产物：
  描述：

  6-methylbenzofuroxan 、 1-苯基-1,3-丁二酮 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以19%的产率得到(3,7-dimethyl-1,4-dioxy-quinoxalin-2-yl)-phenyl-methanone
  参考文献：
  名称：

  Synthesis of new 2-acetyl and 2-benzoyl quinoxaline 1,4-di-N-oxide derivatives as anti-Mycobacterium tuberculosis agents

  摘要：

  A series of 2-acetyl and 2-benzoyl-6(7)-substituted quinoxaline 1,4-di-N-oxide derivatives were synthesized and evaluated for in vitro antituberculosis activity. The results show that 2-acetyl-3-methylquinoxaline 1,4-di-N-oxide derivatives with chlorine, methyl or methoxy group in position 7 of the benzene moiety (compounds 2, 4 and 6, respectively) and unsubstituted (3) have good antitubercular activity, exhibiting EC90/MIC values between 0.80 and 4.29. In conclusion, the potency, selectivity and low cytotoxicity of these compounds make them valid leads for synthesizing new compounds that possess better activity. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00137-5

文献信息

• Synthesis of new 2-acetyl and 2-benzoyl quinoxaline 1,4-di-N-oxide derivatives as anti-Mycobacterium tuberculosis agents
  作者：Andrés Jaso、Belén Zarranz、Ignacio Aldana、Antonio Monge

  DOI：10.1016/s0223-5234(03)00137-5

  日期：2003.9

  A series of 2-acetyl and 2-benzoyl-6(7)-substituted quinoxaline 1,4-di-N-oxide derivatives were synthesized and evaluated for in vitro antituberculosis activity. The results show that 2-acetyl-3-methylquinoxaline 1,4-di-N-oxide derivatives with chlorine, methyl or methoxy group in position 7 of the benzene moiety (compounds 2, 4 and 6, respectively) and unsubstituted (3) have good antitubercular activity, exhibiting EC90/MIC values between 0.80 and 4.29. In conclusion, the potency, selectivity and low cytotoxicity of these compounds make them valid leads for synthesizing new compounds that possess better activity. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.
• JARRAR A. A.; HALAWI S. S.; HADDADIN M. J., HETEROCYCLES, 1976, 4, NO 6, 1077-1082
  作者：JARRAR A. A.、 HALAWI S. S.、 HADDADIN M. J.

  DOI：——

  日期：——