1-(3',5'-di-tert-butyl-4'-hydroxybenzyl)-3-(3''-cyclopropa[1''',9'''](C60-Ih)[5,6]fulleren-3''yl)indolin-2-one | 1276119-08-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1-(3',5'-di-tert-butyl-4'-hydroxybenzyl)-3-(3''-cyclopropa[1''',9'''](C60-Ih)[5,6]fulleren-3''yl)indolin-2-one
• CAS: 1276119-08-4
• 化学式: C₈₃H₂₇NO₂
• 分子量: 1070.13
• InChiKey: LWKXYUIQJRUYOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  86
• 可旋转键数：
  4
• 环数：
  36.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(3,5-di-tert-butyl-4-hydroxybenzyl)-2,3-dihydro-1H-indole-2,3-dione 、 足球烯 在 六乙基亚磷酸胺 作用下， 以 邻二氯苯 为溶剂， 反应 8.0h， 以46%的产率得到1-(3',5'-di-tert-butyl-4'-hydroxybenzyl)-3-(3''-cyclopropa[1''',9'''](C60-Ih)[5,6]fulleren-3''yl)indolin-2-one
  参考文献：
  名称：

  Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C₆₀

  摘要：

  The reactions of such cyclic alpha-diketones as acenaphthenequinone, aceanthrenequinone, and N-alkylisatins, with hexaethyltriaminophosphine in the presence of the fullerene C-60, lead to the formation of methanofullerene derivatives under mild conditions. This process proceeds via deoxygenation of the dicarbonyl compound by the P(III) derivative and is likely to involve the intermediate formation of alpha-ketocarbenes. The structure of some methanofullerenes has been confirmed by NMR and XRD. The electrochemical behavior of the methanofullerenes was also investigated.

  DOI：

  10.1021/jo102332e

文献信息

• Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C₆₀
  作者：Irina P. Romanova、Andrey V. Bogdanov、Vladimir F. Mironov、Gulnara R. Shaikhutdinova、Olga A. Larionova、Shamil K. Latypov、Alsu A. Balandina、Dmitry G. Yakhvarov、Aidar T. Gubaidullin、Alina F. Saifina、Oleg G. Sinyashin

  DOI：10.1021/jo102332e

  日期：2011.4.15

  The reactions of such cyclic alpha-diketones as acenaphthenequinone, aceanthrenequinone, and N-alkylisatins, with hexaethyltriaminophosphine in the presence of the fullerene C-60, lead to the formation of methanofullerene derivatives under mild conditions. This process proceeds via deoxygenation of the dicarbonyl compound by the P(III) derivative and is likely to involve the intermediate formation of alpha-ketocarbenes. The structure of some methanofullerenes has been confirmed by NMR and XRD. The electrochemical behavior of the methanofullerenes was also investigated.