| 194145-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 194145-24-9
• 化学式: C₆₇H₈
• 分子量: 812.801
• InChiKey: VEHRZFQTBFUJMP-UCWOISFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.06
• 重原子数：
  67.0
• 可旋转键数：
  2.0
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 4-甲氧基苯甲腈 在 四丁基氢氧化铵 、 碘 作用下， 以 邻二氯苯 、 甲醇 为溶剂， 反应 4.25h， 以90%的产率得到
  参考文献：
  名称：

  Oxazoline and Imidazoline Functionalization of a C₆₀ Dimer via the Reaction of C₆₀HBn and Aromatic Nitriles with a Bifunctional Hydroxide

  摘要：

  Oxazoline and imidazoline functionalization of a singly bonded C-60 dimer is achieved via a one-pot reaction of C60HBn with OH- and aromatic nitriles, where the OH- not only functions as a Bronsted base that deprotonates C60HBn but also as a nucleophile that initiates the nucleophilic addition to the fullerene cage. The structures of the obtained oxazolinated and imidazolinated C-60 dimeric compounds have been established by HRMS, UV-vis, and H-1, C-13, and HMBC NMR characterizations and computational calculations. The reaction mechanism is studied with the in situ vis-near-IR spectra, which shows that the use of I-2 is crucial for the functionalization of the C-60 dimer, indicating that it is likely the dimeric molecule rather than the fragment of the dimer that is involved in the reaction.

  DOI：

  10.1021/jo402387t

文献信息

• Rhenium-Templated Regioselective Polyhydrogenation Reaction of [60]Fullerene
  作者：Motoki Toganoh、Yutaka Matsuo、Eiichi Nakamura

  DOI：10.1002/anie.200351722

  日期：2003.8.4