2-Decyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-malonic acid | 220758-64-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Decyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-malonic acid
• 英文别名: 2-Decyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanedioic acid；2-decyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)propanedioic acid
• CAS: 220758-64-5
• 化学式: C₂₁H₂₇F₁₃O₄
• 分子量: 590.422
• InChiKey: DAKAYKZANSBABD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  38
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  2-Decyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-malonic acid 在 五氯化磷 作用下， 反应 3.0h， 生成 2-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octyl)-dodecanoyl chloride
  参考文献：
  名称：

  Nouveaux procédés de préparation des isocyanates F-alkylés linéaires ou ramifiés à partir des iodures de 2-F-alkyléthyle

  摘要：

  Isocyanates are extremely versatile compounds in organic synthesis, but their synthesis is not easy. One of the most convenient methods uses acids as intermediates. In the F-alkyl series, it is sometimes difficult to obtain them by a general way. We have managed an efficient synthetic route to F-alkyl acids through malonates from 2-F-alkylethyl iodides.

  DOI：

  10.1016/s0022-1139(98)00235-8
• 作为产物：
  描述：

  1-碘-1H,1H,2H,2H-全氟辛烷 在 氢氧化钾 、 18-冠醚-6 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 42.0h， 生成 2-Decyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-malonic acid
  参考文献：
  名称：

  Nouveaux procédés de préparation des isocyanates F-alkylés linéaires ou ramifiés à partir des iodures de 2-F-alkyléthyle

  摘要：

  Isocyanates are extremely versatile compounds in organic synthesis, but their synthesis is not easy. One of the most convenient methods uses acids as intermediates. In the F-alkyl series, it is sometimes difficult to obtain them by a general way. We have managed an efficient synthetic route to F-alkyl acids through malonates from 2-F-alkylethyl iodides.

  DOI：

  10.1016/s0022-1139(98)00235-8

文献信息

• Nouveaux procédés de préparation des isocyanates F-alkylés linéaires ou ramifiés à partir des iodures de 2-F-alkyléthyle
  作者：P. Lucas、M.A. Jouani、H. Trabelsi、A. Cambon

  DOI：10.1016/s0022-1139(98)00235-8

  日期：1998.10

  Isocyanates are extremely versatile compounds in organic synthesis, but their synthesis is not easy. One of the most convenient methods uses acids as intermediates. In the F-alkyl series, it is sometimes difficult to obtain them by a general way. We have managed an efficient synthetic route to F-alkyl acids through malonates from 2-F-alkylethyl iodides.