| 1599468-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 1599468-86-6
• 化学式: C₉₂H₅₁NO₆S
• 分子量: 1298.49
• InChiKey: HFXJSFJWJWHVDH-HGHUDTBDSA-N

物化性质

• 密度：
  1.87±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  22.92
• 重原子数：
  100.0
• 可旋转键数：
  26.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  89.98
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  、 苄基叠氮 在 copper(II) sulfate 、 sodium ascorbate 、 三[(1-苄基-1H-1,2,3-三唑-4-基)甲基]胺 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 4.0h， 以48%的产率得到
  参考文献：
  名称：

  Orthogonal functionalization of a fullerene building block through copper-catalyzed alkyne–azide and thiol–maleimide click reactions

  摘要：

  In this study, the synthesis of an orthogonally clickable fullerene building block mono-adduct bearing on one side an alkyne unit and a maleimide moiety on the other side is presented. This derivative has been involved in CuAAC and thiol-maleimide click reactions using stepwise or one-pot processes with benzyl azide and 1-octanethiol. The one-pot process involving the CuAAC reaction followed by the thiol maleimide conjugation gives the highest yield. This new platform could pave the way for the synthesis of a wide range of fullerene derivatives exploiting this set of orthogonal reactions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.086
• 作为产物：
  描述：

  1-辛硫醇 、 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 以47%的产率得到
  参考文献：
  名称：

  Orthogonal functionalization of a fullerene building block through copper-catalyzed alkyne–azide and thiol–maleimide click reactions

  摘要：

  In this study, the synthesis of an orthogonally clickable fullerene building block mono-adduct bearing on one side an alkyne unit and a maleimide moiety on the other side is presented. This derivative has been involved in CuAAC and thiol-maleimide click reactions using stepwise or one-pot processes with benzyl azide and 1-octanethiol. The one-pot process involving the CuAAC reaction followed by the thiol maleimide conjugation gives the highest yield. This new platform could pave the way for the synthesis of a wide range of fullerene derivatives exploiting this set of orthogonal reactions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.086