1'-(4-nitrophenyl)-3'-(4-N,N-dimethylaminophenyl)pyrazolino[4',5':1,2][60]fullerene | 476487-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1'-(4-nitrophenyl)-3'-(4-N,N-dimethylaminophenyl)pyrazolino[4',5':1,2][60]fullerene
• CAS: 476487-66-8
• 化学式: C₇₅H₁₄N₄O₂
• 分子量: 1002.96
• InChiKey: CQPVHJYCKHONCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.2
• 重原子数：
  81
• 可旋转键数：
  3
• 环数：
  35.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1'-(4-nitrophenyl)-3'-(4-N,N-dimethylaminophenyl)pyrazolino[4',5':1,2][60]fullerene 在 盐酸 、 tin 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  A ready access to unprecedented N-anilinopyrazolino[60]fullerenes

  摘要：

  A simple and efficient method for the preparation of new synthons based on versatile amino-functionalize pyrazoline[60]fullerene is described. These intermediates are useful in the preparation of new derivatives for applications in materials science. Finally, electrochemical studies of the newly prepared Compounds have been performed in solvents with different polarities. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.111
• 作为产物：
  描述：

  足球烯 、 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.75h， 以65%的产率得到1'-(4-nitrophenyl)-3'-(4-N,N-dimethylaminophenyl)pyrazolino[4',5':1,2][60]fullerene
  参考文献：
  名称：

  Synthesis and properties of pyrazolino[60]fullerene-donor systems

  摘要：

  A series of pyrazolino[60]fullerenes has been prepared in one pot by 1,3-dipolar cycloaddition to C-60 of the corresponding nitrile in-tine, which was generated in situ from the corresponding hydrazone. A range of donors and acceptors were introduced as substituents. Electrochemical and photophysical studies have revealed weak ground-state interactions between the organic addends and the fullerene sphere. Steady-state fluorescence has shown that, in both toluene and benzonitrile solutions, an efficient electron transfer process takes place when a strong donor is attached to the pyrazolino[60]fullerene system. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00552-5

文献信息

• On the Thermal Stability of [60]Fullerene Cycloadducts:  Retro-Cycloaddition Reaction of 2-Pyrazolino[4,5:1,2][60]fullerenes
  作者：Juan Luis Delgado、Frédéric Oswald、François Cardinali、Fernando Langa、Nazario Martín

  DOI：10.1021/jo702741n

  日期：2008.4.1

  2-Pyrazolino[4,5:1,2][60]fullerenes undergo a thermally induced retro-cycloaddition process whose efficiency is influenced by the nature of the C-substituent. C-Aryl-N-Aryl-2-pyrazolino[60]fullerenes (2a−d) poorly undergo a thermal retro-cycloaddition reaction even in the presence of a strong dipolarophile or a metal Lewis acid which, in contrast to other fullerene derivatives, shows their remarkable

  2-吡唑啉代[4,5：1,2] [60]富勒烯经历热诱导的逆环加成过程，其效率受C取代基的性质影响。C-芳基-N-芳基-2-吡唑啉基[60]富勒烯（2a - d）即使在强双极性亲和剂或金属路易斯酸（与其他富勒烯衍生物相比，显示出其卓越的热稳定性。C-烷基-N-芳基-2-吡唑啉[60]富勒烯（2e - f）表现出不同的行为，更容易受到三氟甲磺酸铜的影响，并导致高收率的逆环加成产物（原始C 60）。