| 1443140-18-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1443140-18-8
• 化学式: C₆₆H₁₂O₂
• 分子量: 836.82
• InChiKey: WWDKYWUNBYLSQC-HOAYPZFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.87
• 重原子数：
  68.0
• 可旋转键数：
  2.0
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  甲醇 、 1,2-(4'-oxacyclohexano)[60]fullerene 在 四氯化钛 作用下， 以 邻二氯苯 为溶剂， 反应 20.0h， 以61%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of new acetalized [60]fullerenes

  摘要：

  Acetalized [60]fullerenes were synthesized from cyclohexanone-fused [60]fullerene, which was facilely prepared by Diels-Alder reaction of C-60 with silylether diene, on treatment of various aliphatic alcohols under TiCl4 catalyst. The spiro-cyclic acetalized [60]fullerenes having five, six, and seven-membered rings were also synthesized by using the corresponding diols under the same condition. The slightly raised reduction potentials E-red (similar to 0.04 V) relative to those of PCBM were observed by cyclic voltammetry measurement, depending on the identity of alkyl group/chain. The noncyclic acetalized [60]fullerenes showed lower thermal stability up to 200 degrees C, while the cyclic ones exhibited the drastically improved thermal stability up to 350 degrees C under nitrogen atmosphere. The acid-catalyzed hydrolysis easily removed the acetal moiety quantitatively, resulting in a considerable change of solvent solubility of the fullerene. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.093