| 448297-63-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 448297-63-0
• 化学式: C₁₃₀H₂₄O₆P₂
• 分子量: 1743.56
• InChiKey: BSBQGZPQRUHMFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35.5
• 重原子数：
  138.0
• 可旋转键数：
  13.0
• 环数：
  64.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 三氟甲磺酸 、 硫酸 作用下， 生成
  参考文献：
  名称：

  Generation of Fullerenyl Cation (EtO)₂P⁺(OH)CH₂−C₆₀⁺ from RC₆₀−H and from RC₆₀−C₆₀R (R = CH₂P(O)(OEt)₂)

  摘要：

  A novel fullerenyl cation (EtO)2P+(OH)CH2-C60+ was generated by simply dissolving the monofunctionalized hydrofullerene RC60-H or singly bonded dimer RC60-C60R (R = CH2P(O)(OEt)2) in oxidizing acids such as H2SO4 and FSO3H. The cation was also formed in CH2Cl2 by one-electron oxidation with aminium radical cation and was used for further functionalization of C60.

  DOI：

  10.1021/ja047483h
• 作为产物：
  描述：

  碘甲基膦酸二乙酯 、 足球烯 在 sodium thiomethoxide 、 碘 作用下， 以 乙腈 为溶剂， 反应 8.08h， 以42%的产率得到
  参考文献：
  名称：

  Synthesis, X-ray Structure, and Properties of the Singly Bonded C₆₀ Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C₆₀^2-

  摘要：

  [GRAPHICS]A singly bonded C-60 dimer having a diethoxyphosphorylmethyl group on each C-60 cage was obtained by the reaction of C-60(2-) dianion with diethyl iodomethylphosphonate followed by the treatment with iodine. The precise structure of the dimer was determined for the first time by X-ray crystallography, and its homolytic dissociation as well as spectroscopic and electrochemical properties were clarified.

  DOI：

  10.1021/ol026281s