6-methoxyquinolin-4-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate | 1161941-02-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: 6-methoxyquinolin-4-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• 英文别名: 6-Methoxyquinolin-4-yl nonafluorobutane-1-sulfonate；(6-methoxyquinolin-4-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• CAS: 1161941-02-1
• 化学式: C₁₄H₈F₉NO₄S
• 分子量: 457.273
• InChiKey: QONUGHHHTUJULH-UHFFFAOYSA-N

物化性质

• 沸点：
  402.7±45.0 °C(Predicted)
• 密度：
  1.606±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.9
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  6-methoxyquinolin-4-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate 在 乙酸酐 、 sodium iodide 作用下， 以 乙腈 为溶剂， 以92%的产率得到4-碘-6-甲氧基喹啉
  参考文献：
  名称：

  Microwave-Assisted Trans-Halogenation Reactions of Various Chloro-, Bromo-, Trifluoromethanesulfonyloxy- and Nonafluorobutanesulfonyloxy-Substituted Quinolines, Isoquinolines, and Pyridines Leading to the Corresponding Iodinated Heterocycles

  摘要：

  Microwave irradiation of certain chloro-, bromo-, trifluoromethanesulfonyloxy- and nonafluorobutanesulfonyloxy-substituted quinolines in the presence of acetic. anhydride and sodium iodide leads, via a trans-halogenation process, to the corresponding iodides in high yield. Related conversions involving pyridines and isoquinolines can also be achieved under similar conditions.

  DOI：

  10.1021/jo9008386
• 作为产物：
  描述：

  4-羟基-6-甲氧基喹啉 、 全氟丁基磺酰氟 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 15.0h， 以33%的产率得到6-methoxyquinolin-4-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
  参考文献：
  名称：

  Microwave-Assisted Trans-Halogenation Reactions of Various Chloro-, Bromo-, Trifluoromethanesulfonyloxy- and Nonafluorobutanesulfonyloxy-Substituted Quinolines, Isoquinolines, and Pyridines Leading to the Corresponding Iodinated Heterocycles

  摘要：

  Microwave irradiation of certain chloro-, bromo-, trifluoromethanesulfonyloxy- and nonafluorobutanesulfonyloxy-substituted quinolines in the presence of acetic. anhydride and sodium iodide leads, via a trans-halogenation process, to the corresponding iodides in high yield. Related conversions involving pyridines and isoquinolines can also be achieved under similar conditions.

  DOI：

  10.1021/jo9008386

文献信息

• Microwave-Assisted Trans-Halogenation Reactions of Various Chloro-, Bromo-, Trifluoromethanesulfonyloxy- and Nonafluorobutanesulfonyloxy-Substituted Quinolines, Isoquinolines, and Pyridines Leading to the Corresponding Iodinated Heterocycles
  作者：Alex C. Bissember、Martin G. Banwell

  DOI：10.1021/jo9008386

  日期：2009.7.3

  Microwave irradiation of certain chloro-, bromo-, trifluoromethanesulfonyloxy- and nonafluorobutanesulfonyloxy-substituted quinolines in the presence of acetic. anhydride and sodium iodide leads, via a trans-halogenation process, to the corresponding iodides in high yield. Related conversions involving pyridines and isoquinolines can also be achieved under similar conditions.