| 1008131-42-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1008131-42-7
• 化学式: Br*C₈₈H₅₄N₃
• 分子量: 1233.32
• InChiKey: RSTZPFRGFMTUML-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  20.83
• 重原子数：
  92.0
• 可旋转键数：
  22.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  12.05
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  、 溴代十六烷 反应 48.0h， 以82%的产率得到
  参考文献：
  名称：

  Synthesis of fulleropyrrolidine–imidazolium salt hybrids and their solubility in various organic solvents

  摘要：

  Eight types of fulleropyrrolidine-imidazolium hybrids have been synthesized and their solubility determined in various types of organic solvents. The solvent solubility of fullerene derivatives depends on the alky side chain on the imidazolium ring; modification of solvent solubility of the fulleropyrrolidine-imidazolium hybrids has thus been accomplished by introduction of an appropriate alkyl group using imidazoyl moiety as the 'functional group connector'. The imidazolium group seems to act not only as the connector but also as an important functional group that controls the solubility. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.097