1-(2-methylbutyl)-1,4-diazabicyclo[2.2.2]octan-1-ium 4-methylbenzenesulfonate | 1185279-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-methylbutyl)-1,4-diazabicyclo[2.2.2]octan-1-ium 4-methylbenzenesulfonate
• CAS: 1185279-20-2
• 化学式: C₇H₇O₃S*C₁₁H₂₃N₂
• 分子量: 354.514
• InChiKey: PZSZDRPVKLYPET-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.08
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  60.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  三乙烯二胺 、 对甲苯磺酸2-甲基丁酯 以 乙酸乙酯 为溶剂， 反应 24.0h， 以41%的产率得到1-(2-methylbutyl)-1,4-diazabicyclo[2.2.2]octan-1-ium 4-methylbenzenesulfonate
  参考文献：
  名称：

  Polycations. 18. The synthesis of polycationic lipid materials based on the diamine 1,4-diazabicyclo[2.2.2]octane

  摘要：

  Herein is reported the preparation of several series of polyammonium salts that serve as cationic lipids or precursors thereof, and are structurally based on the parent diamine 1,4-diazabicyclo[2.2.2]octane (dabco).Through selective alkylation of dabco a variety of di-and tetracationic lipid species and precursors thereof have been prepared. The resultant materials are of significant interest for a variety of purposes, including serving as antimicrobial agents and antihydrophobic species, the details of which are provided in separate reports. (c) 2008 Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.chemphyslip.2008.12.003