5-氟-2(1H)-喹喔啉酮 | 55687-16-6

• 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: 5-氟-2(1H)-喹喔啉酮
• 英文名称: 5-fluoro-2(1H)-quinoxalinone
• 英文别名: 5-fluoro-1H-quinoxalin-2-one；5-fluoroquinoxalin-2(1H)-one；5-Fluoroquinoxalin-2-ol；5-fluoro-1H-quinoxalin-2-one
• CAS: 55687-16-6
• 化学式: C₈H₅FN₂O
• 分子量: 164.139
• InChiKey: QQUYDLGJURPFCY-UHFFFAOYSA-N

物化性质

• 熔点：
  289.5-291.0 °C(Solv: tetrahydrofuran (109-99-9))
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  3

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	2-chloro-5-fluoroquinoxaline	55687-09-7	C8H4ClFN2	182.585

反应信息

• 作为反应物：
  描述：

  5-氟-2(1H)-喹喔啉酮 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 2-chloro-5-fluoroquinoxaline
  参考文献：
  名称：

  Piperazinylquinoxalines with central serotoninmimetic activity

  摘要：

  Regioselective syntheses of substituted 2-chloroquinoxalines and derived 2-(1-piperazinyl)quinoxalines are described. Selectivity in regards to serotonin reuptake blocking and serotoninmimetic activities of the piperazinylquinoxalines is reported. In general, introduction of a 6-substituent into the piperazinylquinoxaline enhanced serotonin reuptake blocking activity and diminished serotoninmimetic activity. Unsubstituted and 3-hydroxypiperazinylquinoxalines had primarily serotoninmimetic activity.

  DOI：

  10.1021/jm00133a019
• 作为产物：
  描述：

  乙醛酸乙酯 、 2,3-二氨基氟苯 以 乙醇 为溶剂， 以38.4 %的产率得到5-氟-2(1H)-喹喔啉酮
  参考文献：
  名称：

  [EN] SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR
  [FR] INHIBITEURS DE TSHR SUBSTITUÉS DE 3,4-DIHYDROQUINOLINONE

  摘要：

  Disclosed are compounds that are thyroid stimulating hormone receptor antagonists, and methods useful for preventing or treating a thyroid disease.

  公开号：

  WO2024026076A2

文献信息

• Benzosultams and analogues and their use as fungicides
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US10736321B2

  公开（公告）日：2020-08-11

  The present disclosure relates to fungicidal active compounds, more specifically to benzosultams and analogues thereof, processes and, intermediates for their preparation and use thereof as fungicidal active compound, particularly in the form of fungicide compositions. The present disclosure also relates to methods for the control of phytopathogenic fungi of plants using these compounds or compositions comprising thereof.

  本公开涉及杀真菌活性化合物，更具体地说，涉及苯并磺胺及其类似物、制备它们的工艺和中间体以及将其用作杀真菌活性化合物，特别是以杀真菌剂组合物的形式使用。本公开还涉及使用这些化合物或包含这些化合物的组合物控制植物的植物病原真菌的方法。
• LUMMA W. C. JR.; HARTMAN R. D.; SAARI W. S.; ENGELHARDT E. L.; LOTTI V. J+, J. MED. CHEM., 1981, 24, NO 1, 93-101
  作者：LUMMA W. C. JR.、 HARTMAN R. D.、 SAARI W. S.、 ENGELHARDT E. L.、 LOTTI V. J+

  DOI：——

  日期：——
• BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US20190335753A1

  公开（公告）日：2019-11-07

  The present disclosure relates to fungicidal active compounds, more specifically to benzosultams and analogues thereof, processes and, intermediates for their preparation and use thereof as fungicidal active compound, particularly in the form of fungicide compositions. The present disclosure also relates to methods for the control of phytopathogenic fungi of plants using these compounds or compositions comprising thereof.
• [EN] SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR<br/>[FR] INHIBITEURS DE TSHR SUBSTITUÉS DE 3,4-DIHYDROQUINOLINONE
  申请人：[en]SEPTERNA, INC.

  公开号：WO2024026076A2

  公开（公告）日：2024-02-01

  Disclosed are compounds that are thyroid stimulating hormone receptor antagonists, and methods useful for preventing or treating a thyroid disease.
• Rapid alkenylation of quinoxalin-2(1H)-ones enabled by the sequential Mannich-type reaction and solar photocatalysis
  作者：Lin Huang、Jun Xu、Lei He、Chenfeng Liang、Yani Ouyang、Yongping Yu、Wanmei Li、Pengfei Zhang

  DOI：10.1016/j.cclet.2021.04.016

  日期：2021.11