| 1373042-65-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1373042-65-9
• 化学式: C₆₇H₆O₃S
• 分子量: 890.849
• InChiKey: HOKNMQSLPKEXTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.33
• 重原子数：
  71.0
• 可旋转键数：
  0.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 三氟化硼乙醚 以 邻二氯苯 为溶剂， 反应 5.0h， 以86%的产率得到
  参考文献：
  名称：

  Synthesis of [60]Fullerene-Fused Sultones via Sulfonic Acid Group-Directed C–H Bond Activation

  摘要：

  Functionalization with the sulfonic acid group as the directing group in a C-H activation reaction has been revealed for the first time. [60]Fullerene has been employed in the unprecedented palladium-catalyzed C-H activation reaction of arylsulfonic acids to afford [60]fullerene-fused sultones.

  DOI：

  10.1021/ol3007452
• 作为产物：
  描述：

  对甲苯磺酸 、 足球烯 在 dipotassium peroxodisulfate 、 palladium diacetate 作用下， 以 邻二氯苯 、 乙腈 为溶剂， 反应 24.0h， 以30%的产率得到
  参考文献：
  名称：

  Synthesis of [60]Fullerene-Fused Sultones via Sulfonic Acid Group-Directed C–H Bond Activation

  摘要：

  Functionalization with the sulfonic acid group as the directing group in a C-H activation reaction has been revealed for the first time. [60]Fullerene has been employed in the unprecedented palladium-catalyzed C-H activation reaction of arylsulfonic acids to afford [60]fullerene-fused sultones.

  DOI：

  10.1021/ol3007452

文献信息

• Electroreductive Transformation of [60]Fullerosultones into Fullerosulfonic Acids
  作者：Rui Liu、Fei Li、Yang Xiao、Dan-Dan Li、Cheng-Lin He、Wei-Wei Yang、Xiang Gao、Guan-Wu Wang

  DOI：10.1021/jo400920f

  日期：2013.7.19

  Novel C-60 derivatives of a singly bonded dimer and a 1,4-adduct bearing a sulfonic acid functionality have been prepared via the electroreductive transformation of a [60]fullerosultone. It has been shown that the reaction of the in situ formed dianion with benzyl bromide is initiated by a ring-opening of the [60]fullerosultone via the C-60-O bond cleavage upon receiving one electron. The [60]fullerosultone dianion is electrooxidized at 0.40 V to afford the singly bonded dimer species, which can be further electrooxidized at 1.30 V to restore the starting material [60]fullerosultone. The reaction mechanism is studied with the cyclic voltammetry and vis-NIR spectroscopy.