1-Fluoro-4-methyl-2-(naphthalen-1-ylmethyl)-1-(3-naphthalen-1-ylpropyl)piperazin-1-ium

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Fluoro-4-methyl-2-(naphthalen-1-ylmethyl)-1-(3-naphthalen-1-ylpropyl)piperazin-1-ium
• 英文别名: 1-fluoro-4-methyl-2-(naphthalen-1-ylmethyl)-1-(3-naphthalen-1-ylpropyl)piperazin-1-ium
• 化学式: C29H32FN2+
• 分子量: 427.6
• InChiKey: YLKVUVWKJWTFGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] CHIRAL FLUORINATING REAGENTS<br/>[FR] RÉACTIFS DE FLUORATION CHIRAUX
  申请人：ISIS INNOVATION

  公开号：WO2014068341A2

  公开（公告）日：2014-05-08

  This invention relates to fluorinating agents and, more particularly, to chiral non-racemic fluorinating agents useful for enantioselective fluorination, as well as to their synthesis and use and other subject matter. The fluorinating agents are based on a substituted 1,4-diazabicyclo[2.2.2]octane (DABCO) skeleton and provide electrophillic fluorine enantioselectively.