1-phenyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bis(trifluoromethylsulfonyl)imide | 1241961-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-phenyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bis(trifluoromethylsulfonyl)imide
• 英文别名: 1-Phenyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]-pyrimidin-1-ium bis(trifluoromethylsulfonyl)imide；bis(trifluoromethylsulfonyl)azanide;1-phenyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
• CAS: 1241961-68-1
• 化学式: C₂F₆NO₄S₂*C₁₃H₁₇N₂
• 分子量: 481.44
• InChiKey: CQWMQCPDYDYIDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  92.3
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  N-苯基双(三氟甲烷磺酰)亚胺 、 1,5-二氮杂双环[4.3.0]壬-5-烯 以 氯仿 为溶剂， 生成 1-phenyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bis(trifluoromethylsulfonyl)imide
  参考文献：
  名称：

  Trifluoromethanesulfonate, trifluromethylsulfonylimide, and bis(trifluoromethylsulfonyl)imide salts and ionic liquids based on 1,8-diazabicyclo[5.4.0]undec-7-ene and 1,5-diazabicyclo[ 4.3.0]non-5-ene

  摘要：

  Trifluoromethanesulfonate, trifluoromethylsulfonylimide, and bis(trifluoromethylsulfonyl)imide salts and ionic liquids were synthesized from 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1,8-diazabicyclo[5.4.0]undec-7-ene) and 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (1,5-diazabicyclo[4.3.0]non-5-ene). Their physicochemical properties, spectral parameters, and some chemical transformations were studied.

  DOI：

  10.1134/s1070428010030140