p-HOPF | 1448643-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: p-HOPF
• CAS: 1448643-63-7
• 化学式: C₇₅H₂₃NO
• 分子量: 954.014
• InChiKey: ZXRMZFBIPSIMEZ-KGIZBHCDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.35
• 重原子数：
  77.0
• 可旋转键数：
  7.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  12.47
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  肌氨酸 、 4-正己氧基苯甲醛 、 足球烯 以 邻二氯苯 为溶剂， 反应 24.0h， 以56%的产率得到p-HOPF
  参考文献：
  名称：

  Synthesis and Characterization of Novel Soluble Fulleropyrrolidine Derivatives and Their Photovoltaic Performance

  摘要：

  Currently, [60] fullerene derivatives are the focus of considerable research due to their important roles in many fields, especially material science. In this study, we synthesized the following two novel fulleropyrrolidine derivatives: C-60-fused N-methyl-(4-hexyloxybenzen-2-y1) pyrrolidine, (p-HOPF) and C-60-fused N-methyl-(2-hexyloxybenzen-2-y1) pyrrolidine, (o-HOPF). Structural assignments of the two fullerene derivatives were made through H-1 NMR and FAB-MS. We also measured the optical and electrochemical properties of p-HOPF and o-HOPF through UV/Vis spectrophotometry and cyclic voltammetry. We found that the difference in the position of the alkoxyl substituent on the phenyl ring greatly affects the characteristics of the molecules. In particular, from the H-1 NMR spectrum, we found that the hydrogen atoms on the carbons adjacent to the oxygens in p-HOPF and o-HOPF have completely different chemical environments. In order to study the effects of the substituent group positions on photovoltaic performance, photovoltaic devices were fabricated. The highest power conversion efficiency, 0.71%, was achieved when using o-HOPF as the electron acceptor.

  DOI：

  10.1166/jnn.2013.7285