| 1529789-23-8

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• CAS: 1529789-23-8
• 化学式: C₉₇H₃₂F₄N₆
• 分子量: 1357.35
• InChiKey: QMBJFMMYIDFTNB-VHEMJDHXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.84
• 重原子数：
  107.0
• 可旋转键数：
  11.0
• 环数：
  36.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  101.64
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  肌氨酸 、 2-(1-(4-(dibutylamino)phenyl)-2-(4-(dicyanomethylene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene)-2-(4-formylphenyl) ethylidene)malononitrile 、 足球烯 以 邻二氯苯 为溶剂， 反应 13.0h， 以15%的产率得到
  参考文献：
  名称：

  Energy level tunable pre-click functionalization of [60]fullerene for nonlinear optics

  摘要：

  [2+2] click chemistry followed by Prato reaction is reported the first time for energy level tunable functionalization of C-60. The novel kind of D-A-A C-60 charge-transfer complexes exhibits strikingly enhanced optoelectronic properties and significant third-order nonlinear optical potentials. Meanwhile, structures of the 'click' C-60 products were fully characterized by NMR, IR, and MS. By introducing TCNE, TCNQ F-4-TCNQ click monomers, we obtained energy level tunable fullerene derivatives in high solubility, which was beneficial for processing. Furthermore, UV-vis spectra were enlarged with end-absorptions into the near infrared region, indicating excellent nonlinear optical properties. The electrochemical properties have been studied by cyclic voltammograms, which were in good correlation with the optical spectroscopic and DFT data. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.12.018