8-氯-1,4-二氢-4-氧代-3-喹啉甲酸甲酯 | 942227-33-0

• 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
• 中文名称: 8-氯-1,4-二氢-4-氧代-3-喹啉甲酸甲酯
• 中文别名: 8-氯-1,4-二氢-4-氧代-3-喹啉羧酸甲酯
• 英文名称: Methyl 8-chloro-4-hydroxyquinoline-3-carboxylate
• 英文别名: methyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate
• CAS: 942227-33-0
• 化学式: C₁₁H₈ClNO₃
• 分子量: 237.642
• InChiKey: WBLOOBQTXIVXKV-UHFFFAOYSA-N

物化性质

• 沸点：
  365.5±42.0 °C(Predicted)
• 密度：
  1.400

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933499090

反应信息

• 作为产物：
  描述：

  甲氧基亚甲基马来酸二甲酯 在 四磷十氧化物 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 8-氯-1,4-二氢-4-氧代-3-喹啉甲酸甲酯
  参考文献：
  名称：

  A Mild and Efficient Synthesis of 4-Quinolones and Quinolone Heterocycles

  摘要：

  The cycloacylation of aniline derivatives to 4-quinolones in the presence of Eaton's reagent is described. This high-yielding methodology is applicable to a wide variety of functionalized anilines and requires milder conditions than those traditionally employed. This cyclization protocol is used to prepare a host of heterocycles and bis-quinolones and is characterized by relatively low reaction temperature and ease of product isolation.

  DOI：

  10.1021/jo070181o

文献信息

• A Mild and Efficient Synthesis of 4-Quinolones and Quinolone Heterocycles
  作者：Daniel Zewge、Cheng-yi Chen、Curtis Deer、Peter G. Dormer、Dave L. Hughes

  DOI：10.1021/jo070181o

  日期：2007.5.1

  The cycloacylation of aniline derivatives to 4-quinolones in the presence of Eaton's reagent is described. This high-yielding methodology is applicable to a wide variety of functionalized anilines and requires milder conditions than those traditionally employed. This cyclization protocol is used to prepare a host of heterocycles and bis-quinolones and is characterized by relatively low reaction temperature and ease of product isolation.