methyl 3-fluorohexanoate | 1426126-46-6

• 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: methyl 3-fluorohexanoate
• CAS: 1426126-46-6
• 化学式: C₇H₁₃FO₂
• 分子量: 148.177
• InChiKey: CNFNBZMIZKPKCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  己酸甲酯 在 N-(tert-Butyl)-N-((1-phenylvinyl)oxy)-3,5-bis(trifluoromethyl)benzamide 、 N-氟代双苯磺酰胺 作用下， 以33%的产率得到methyl 5-fluorohexanoate
  参考文献：
  名称：

  [EN] REAGENTS AND METHODS FOR ALIPHATIC CARBON—HYDROGEN BOND FUNCTIONALIZATION
  [FR] RÉACTIFS ET PROCÉDÉS DE FONCTIONNALISATION DE LIAISON CARBONE-HYDROGÈNE ALIPHATIQUE

  摘要：

  The subject matter contained herein relates generally to methods and compounds that facilitate aliphatic carbon-hydrogen bond functionalization by group transfer via a nitrogen-centered radical in the presence of a trap, and the functionalized compounds prepared therefrom. The subject matter described herein provides a platform and the ability to efficiently and selectively introduce a range of valuable functionality on diverse hydrocarbon substrates ranging from methane to polyolefins with >3500 carbon atoms. As described herein, the reagents employed can form reactive N-centered radicals, the kinetics of which do not compete with companion radical traps. This technology finds usefulness in enhancing capabilities in late-stage diversification, while the molecules and materials now made accessible can provide solutions to important challenges in medicinal chemistry and materials science.

  公开号：

  WO2022241129A1