1'-(4-nitrophenyl)-3'-(1-phenylpyrazol-4-yl)pyrazolino[4',5':1,2][60]fullerene | 302919-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1'-(4-nitrophenyl)-3'-(1-phenylpyrazol-4-yl)pyrazolino[4',5':1,2][60]fullerene
• CAS: 302919-00-2
• 化学式: C₇₆H₁₁N₅O₂
• 分子量: 1025.96
• InChiKey: USWKSMOJCLPTEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19
• 重原子数：
  83
• 可旋转键数：
  3
• 环数：
  36.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  79.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  足球烯 、 1-phenylpyrazole-4-carbaldehyde (p-nitrophenyl)hydrazone 在 N-溴代丁二酰亚胺(NBS) 、 三乙胺 作用下， 以 苯 为溶剂， 反应 0.08h， 以20%的产率得到1'-(4-nitrophenyl)-3'-(1-phenylpyrazol-4-yl)pyrazolino[4',5':1,2][60]fullerene
  参考文献：
  名称：

  Synthesis of new C60donor dyads by reaction of pyrazolylhydrazones with [60]fullerene under microwave irradiation

  摘要：

  A facile synthesis of a series of pyrazolo[4,5'][60]fullerenes from pyrazolyl hydrazones under microwave irradiation is described. Evidence of intramolecular charge transfer internation is shown. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02651-3

文献信息

• C₆₀-Based Triads with Improved Electron-Acceptor Properties:  Pyrazolylpyrazolino[60]fullerenes
  作者：Fernando Langa、Pilar de la Cruz、Eva Espíldora、Antonio de la Hoz、José Luis Bourdelande、Luis Sánchez、Nazario Martín

  DOI：10.1021/jo001755r

  日期：2001.7.1

  A series of triad pyrazolylpyrazolino[60]fullerenes has been prepared in one pot from suitably functionalized hydrazones by 1,3-dipolar cycloaddition reactions under microwave irradiation. The electrochemical properties of the compounds obtained were investigated by cyclic voltammmetry, and they show better electron acceptor character than the parent C-60 in all cases. Fluorescence experiments and time-resolved transition spectroscopy indicate the existence of photoinduced charge-transfer processes with the C-60 triplet acting as the acceptor.