| 686767-07-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 686767-07-7
• 化学式: C₇₆H₃₆O₁₁
• 分子量: 1125.12
• InChiKey: CEEQVYKRVNQFKT-RJCJXXLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  87
• 可旋转键数：
  12
• 环数：
  31.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  在 盐酸羟胺 、 potassium carbonate 作用下， 以 氯仿 、 水 为溶剂， 反应 0.83h， 以62%的产率得到
  参考文献：
  名称：

  Towards the Rational Synthesis of Norfullerenes. Controlled Deletion of One Carbon Atom from C₆₀ and Preparation of 2,5,9-Trioxo-1-nor(C₆₀-I_h)[5,6]fullerene C₅₉(O)₃ Derivatives

  摘要：

  Norfullerenes are fullerene-like compounds (fulleroids) resulting from partial deletion of fullerene skeleton carbons. The one carbon less norfullerene C-59(O)(3) derivatives having three carbonyl groups on the rim of the orifice are prepared through peroxide-mediated reactions. A key step involves a novel PCI5 initiated rearrangement of a hydroxyl amine adduct. Decarboxylation serves as the carbon removal step.

  DOI：

  10.1021/ol800611r
• 作为产物：
  描述：

  在 potassium carbonate 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 9.0h， 以55%的产率得到
  参考文献：
  名称：

  Synthesis and Reactivity of 2H-Pyran Moiety in [60]Fullerene Cage Skeleton

  摘要：

  The cyclopentadienyl type hexa-adduct C(60)(OOtBu)(6) 1 is readily converted into 2H-pyran containing fullerene derivative C(60)(O)(OOH)(OOtBu)(5) 2 in the presence of NaHCO(3) and hydroquinone. In the process, O-O bond of the tert-butylperoxo group on the central pentagon is cleaved, and the fullerene-bound oxygen radical inserts into a 5,6-junction to form the 2H-pyran moiety. Further reactions of 2 led to open-cage fullerenes with a nine-membered orifice and also both 3,4-dihydro-2H-pyran and 3,6-dihydro-2H-pyran containing fullerene derivatives. Mechanisms are proposed involving intramolecular S(N)2' and aza-Michael addition and ketal formation processes.

  DOI：

  10.1021/jo100799x