methyl 2-((perfluorobutyl)sulfonyl)acetate | 1313367-89-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: methyl 2-((perfluorobutyl)sulfonyl)acetate
• 英文别名: methyl (perfluorobutanesulfonyl)acetate；Methyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)acetate
• CAS: 1313367-89-3
• 化学式: C₇H₅F₉O₄S
• 分子量: 356.166
• InChiKey: VFIBJTDYUAOQLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  2-羟基-4-甲氧基苯甲醛 、 methyl 2-((perfluorobutyl)sulfonyl)acetate 在 L-脯氨酸 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以75%的产率得到7-methoxy-3-(perfluorobutylsulfonyl)-2H-chromen-2-one
  参考文献：
  名称：

  l-Proline catalyzed condensation–cyclization tandem process: Facile and effective synthesis of 3-polyfluoroalkanesulfonyl coumarin

  摘要：

  A L-proline catalyzed condensation-cyclization tandem process is reported, which affords the potentially pharmaceutic coumarin derivatives. The mild conditions, simplicity of the purification process and satisfactory yields makes the method a facile and effective way toward the 3-polyfluoroalkanesulfonyl coumarins. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.04.001
• 作为产物：
  描述：

  1,1,1,2,2,3,3,4,4-nonafluoro-4-(methylsulfonyl)butane 、 氯甲酸甲酯 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 生成 methyl 2-((perfluorobutyl)sulfonyl)acetate
  参考文献：
  名称：

  l-Proline catalyzed condensation–cyclization tandem process: Facile and effective synthesis of 3-polyfluoroalkanesulfonyl coumarin

  摘要：

  A L-proline catalyzed condensation-cyclization tandem process is reported, which affords the potentially pharmaceutic coumarin derivatives. The mild conditions, simplicity of the purification process and satisfactory yields makes the method a facile and effective way toward the 3-polyfluoroalkanesulfonyl coumarins. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.04.001

文献信息

• l-Proline catalyzed condensation–cyclization tandem process: Facile and effective synthesis of 3-polyfluoroalkanesulfonyl coumarin
  作者：Jianwei Han、Yong Xin、Jingwei Zhao、Shizheng Zhu

  DOI：10.1016/j.jfluchem.2011.04.001

  日期：2011.6

  A L-proline catalyzed condensation-cyclization tandem process is reported, which affords the potentially pharmaceutic coumarin derivatives. The mild conditions, simplicity of the purification process and satisfactory yields makes the method a facile and effective way toward the 3-polyfluoroalkanesulfonyl coumarins. (C) 2011 Elsevier B.V. All rights reserved.