| 1260137-27-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1260137-27-6
• 化学式: C₆₉H₁₁NO
• 分子量: 869.852
• InChiKey: BMPRPRAXTOAGDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16
• 重原子数：
  71
• 可旋转键数：
  2
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  碘甲烷 、 N-(4-hydroxyphenyl)-3,4-fulleropyrrolidine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 12.0h， 以30%的产率得到
  参考文献：
  名称：

  Fulleropyrrolidine End-Capped Molecular Wires for Molecular Electronics—Synthesis, Spectroscopic, Electrochemical, and Theoretical Characterization

  摘要：

  In continuation of previous studies showing promising metal molecule contact properties a variety of C-60 end-capped "molecular wires" for molecular electronics were prepared by variants of the Prato 1,3-dipolar cycloaddition reaction. Either benzene or fluorene was chosen as the central wire, and synthetic protocols for derivatives terminated with one or two fullero[c]pyrrolidine "electrode anchoring" groups were developed. An aryl-substituted aziridine could in some cases be employed directly as the azomethine ylide precursor for the Prato reaction without the need of having an electron-withdrawing ester group present. The effect of extending the pi-system of the central wire from 1,4-phenylenediamine to 2,7-fluorenediamine was investigated by absorption, fluorescence, and electrochemical methods. The central wire and the Co-60 end-groups were found not to electronically communicate in the ground state. However, the fluorescence of C60 was quenched by charge transfer from the wire to C-60. Quantum chemical calculations predict and explain the collapse of coherent electronic transmission through one of the fulleropyrrolidine-terminated molecular wires.

  DOI：

  10.1021/jo102066x

文献信息

• A facile approach of improving the inhibition of arylfulleropyrrolidine on the thermal decomposition of nitrocellulose by enhancing the thermal interaction
  作者：Yang Zhao、Bo Jin、Tian Zheng、Rufang Peng

  DOI：10.1016/j.tca.2022.179303

  日期：2022.10

  initial autocatalytic decomposition reaction of nitrocellulose. The thermal stability of 5a–5b’ to nitrocellulose was proved to mainly depends on the nitrogen oxide radical scavenging ability of fullerene. Obviously, a small amount of aryl[70]fulleropyrrolidine mixed with aryl[60]fulleropyrrolidine can significantly improve the inhibition of aryl[60]fulleropyrrolidine on the thermal decomposition of nitrocellulose

  利用普拉托反应成功设计并合成了一系列芳基[70]富勒吡咯烷(5a-5b')。非等温热分析结果表明，5a-5b'可使硝酸纤维素的临界爆炸温度提高0.8-1.8 K。等温实验结果证明，5a-5b'可延长甲基紫试纸的变色时间。硝酸纤维素在 407.65 K 和 323.15 K 下的安全储存寿命分别为 87 分钟和 34.46 年。绝热加速量热分析表明，5a-5b'可以减少硝酸纤维素的初始自催化分解反应。5a-5b'对硝化纤维素的热稳定性被证明主要取决于富勒烯的氮氧化物自由基清除能力。明显地，少量芳基[70]富勒吡咯烷与​​芳基[60]富勒吡咯烷混合可显着提高芳基[60]富勒吡咯烷对硝化纤维素热分解的抑制作用。随后，探索了以富勒烯烟灰为前驱体低成本、规模化制备芳基富勒吡咯烷稳定剂的可行性。