3-fluoroquinoline 1-oxide | 2338-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-fluoroquinoline 1-oxide
• 英文别名: 3-fluoroquinoline N-oxide；3-Fluor-chinolin-N-oxid；3-fluoro-1-oxidoquinolin-1-ium
• CAS: 2338-72-9
• 化学式: C₉H₆FNO
• 分子量: 163.151
• InChiKey: SRRHECUIFSXYDH-UHFFFAOYSA-N

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：
  25.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-fluoroquinoline 1-oxide 在 三氯氧磷 作用下， 反应 1.0h， 以83%的产率得到2-chloro-3-fluoroquinoline
  参考文献：
  名称：

  Reactions of 3-Substituted Quinoline 1-Oxides with Acylating Agents

  摘要：

  Reactions of 3-fluoro- (1a), 3-bromo,- (1b), 3-methyl- (1c), 3-methoxy- (1d) and 3-acetamidoquinoline 1-oxides (1e) with acylating agents (POCl3, Ac2O, TsCl and PhCOCl) were examined (Table). While only 2-substituted quinolines were obtained from 1a and 1b, fair amounts of 4-substituted products were formed in reactions of 1d, the sole formation of the 4-acetoxyquinoline (6) with Ac2O being the most significant result. 2-Chloroquinolines, 4-chloroquinolines and 2-tosyloxy-quinolines were formed (and sometimes predominate) in addition to 2-quinolinones in reactions with TsCl.

  DOI：

  10.3987/com-91-5788
• 作为产物：
  描述：

  3-氟喹啉 在 间氯过氧苯甲酸 作用下， 以1.80 g的产率得到3-fluoroquinoline 1-oxide
  参考文献：
  名称：

  WO2023/148368

  摘要：

  公开号：

文献信息

• Reactions of 3-Substituted Quinoline 1-Oxides with Acylating Agents
  作者：Yutaka Miura、Sakae Takaku、Yoshiharu Nawata、Masatomo Hamana

  DOI：10.3987/com-91-5788

  日期：——

  Reactions of 3-fluoro- (1a), 3-bromo,- (1b), 3-methyl- (1c), 3-methoxy- (1d) and 3-acetamidoquinoline 1-oxides (1e) with acylating agents (POCl3, Ac2O, TsCl and PhCOCl) were examined (Table). While only 2-substituted quinolines were obtained from 1a and 1b, fair amounts of 4-substituted products were formed in reactions of 1d, the sole formation of the 4-acetoxyquinoline (6) with Ac2O being the most significant result. 2-Chloroquinolines, 4-chloroquinolines and 2-tosyloxy-quinolines were formed (and sometimes predominate) in addition to 2-quinolinones in reactions with TsCl.
• WO2023/148368
  申请人：——

  公开号：——

  公开（公告）日：——