5,19,49,59-tetrakis(tert-butylperoxy)-30-hydroxy-60-hydroxyiminotriacontacyclo[47.11.0.02,30.03,19.05,17.06,58.07,16.08,56.09,14.010,55.011,42.012,40.013,24.015,23.018,22.020,29.021,26.025,39.027,38.028,32.031,48.033,37.034,47.035,44.036,41.043,54.045,53.046,50.051,59.052,57]hexaconta-2,6(58),7(16),8,10,12(40),13,15(23),17,20(29),21,24,26,28(32),31(48),33(37),34(47),35,38,41,43,45(53),46(50),51,54,56-hexacosaen-4-one | 1146917-83-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,19,49,59-tetrakis(tert-butylperoxy)-30-hydroxy-60-hydroxyiminotriacontacyclo[47.11.0.02,30.03,19.05,17.06,58.07,16.08,56.09,14.010,55.011,42.012,40.013,24.015,23.018,22.020,29.021,26.025,39.027,38.028,32.031,48.033,37.034,47.035,44.036,41.043,54.045,53.046,50.051,59.052,57]hexaconta-2,6(58),7(16),8,10,12(40),13,15(23),17,20(29),21,24,26,28(32),31(48),33(37),34(47),35,38,41,43,45(53),46(50),51,54,56-hexacosaen-4-one
• CAS: 1146917-83-0
• 化学式: C₇₆H₃₉NO₁₁
• 分子量: 1142.15
• InChiKey: LVOGHXCDKLQTEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  88
• 可旋转键数：
  12
• 环数：
  30.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  在 盐酸羟胺 、 水 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以58%的产率得到5,19,49,59-tetrakis(tert-butylperoxy)-30-hydroxy-60-hydroxyiminotriacontacyclo[47.11.0.02,30.03,19.05,17.06,58.07,16.08,56.09,14.010,55.011,42.012,40.013,24.015,23.018,22.020,29.021,26.025,39.027,38.028,32.031,48.033,37.034,47.035,44.036,41.043,54.045,53.046,50.051,59.052,57]hexaconta-2,6(58),7(16),8,10,12(40),13,15(23),17,20(29),21,24,26,28(32),31(48),33(37),34(47),35,38,41,43,45(53),46(50),51,54,56-hexacosaen-4-one
  参考文献：
  名称：

  Synthesis of Fullerene Oxides Containing Both 6,6-Closed Epoxide and 5,6-Open Ether Moieties through Thermolysis of Fullerene Peroxides

  摘要：

  Thermolysis of the fullerene hexaadduct C-60(OO'Bu)(6) results in cleavage of two O-O bonds and elimination of two tert-butoxy groups to form two isomeric products with the formula C-60(O)(2)(OO'Bu)(4) in comparable yields. The two oxygen atoms exist as two epoxy groups in one isomer 3, and as an epoxy and an ether group in the other isomer 2. Addition of hydroxylamine to 2 opens both the epoxy and the ether moieties to give a cage-opened keto-ketoxime derivative.

  DOI：

  10.1021/jo9000977