6-甲基-2-喹喔啉甲醛 | 99361-22-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 6-甲基-2-喹喔啉甲醛
• 英文名称: 6-methylquinoxaline-2-carbaldehyde
• 英文别名: 6-Methyl-chinoxalin-2-carbaldehyd；6-Methylquinoxaline-2-carbaldehyde
• CAS: 99361-22-5
• 化学式: C₁₀H₈N₂O
• 分子量: 172.186
• InChiKey: ZRWDXVSKJWFATI-UHFFFAOYSA-N

物化性质

• 沸点：
  333.9±37.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-甲基-2-喹喔啉甲醛 、 乙基肼 以 乙醇 、 水 为溶剂， 反应 0.17h， 以50.7%的产率得到N-ethyl-N'-(6-methylquinoxalin-2-yl-methylene)hydrazine
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel non-azole derivatives as potential antifungal agents

  摘要：

  A series of 3-substituted quinazolinones, 2-substituted quinoxalines and 2-substituted benzopyrans were synthesized and evaluated for their antifungal activity in vitro. The new compounds revealed excellent in vitro antifungal activity with broad spectrum. The structure-activity relationships (SARs) of the derivatives were analyzed. Compound 9A2 exhibits better antifungal activity against 5 tested fungi in vitro than fluconazole, especially against Trichophyton rubrum and Microsporum gypseum. This study provides a series of novel lead compounds for the development of non-azole antifungal agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.04.030
• 作为产物：
  描述：

  2,6-二甲基喹喔啉 在 selenium(IV) oxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以65.7%的产率得到6-甲基-2-喹喔啉甲醛
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel non-azole derivatives as potential antifungal agents

  摘要：

  A series of 3-substituted quinazolinones, 2-substituted quinoxalines and 2-substituted benzopyrans were synthesized and evaluated for their antifungal activity in vitro. The new compounds revealed excellent in vitro antifungal activity with broad spectrum. The structure-activity relationships (SARs) of the derivatives were analyzed. Compound 9A2 exhibits better antifungal activity against 5 tested fungi in vitro than fluconazole, especially against Trichophyton rubrum and Microsporum gypseum. This study provides a series of novel lead compounds for the development of non-azole antifungal agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.04.030

文献信息

• Henseke; Baehner, Chemische Berichte, 1958, vol. 91, p. 1605,1610
  作者：Henseke、Baehner

  DOI：——

  日期：——
• LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS
  申请人：INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM)

  公开号：EP2046789B1

  公开（公告）日：2012-09-05
• Design, synthesis and biological evaluation of novel non-azole derivatives as potential antifungal agents
  作者：Hui Tang、Juan Wu、Wen Zhang、Lei Zhao、Ya-Hui Zhang、Cheng-Wu Shen

  DOI：10.1016/j.cclet.2015.04.030

  日期：2015.9

  A series of 3-substituted quinazolinones, 2-substituted quinoxalines and 2-substituted benzopyrans were synthesized and evaluated for their antifungal activity in vitro. The new compounds revealed excellent in vitro antifungal activity with broad spectrum. The structure-activity relationships (SARs) of the derivatives were analyzed. Compound 9A2 exhibits better antifungal activity against 5 tested fungi in vitro than fluconazole, especially against Trichophyton rubrum and Microsporum gypseum. This study provides a series of novel lead compounds for the development of non-azole antifungal agents. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.