| 872608-17-8

• CAS: 872608-17-8
• 化学式: C₈₀H₃₆O₂
• 分子量: 1029.16
• InChiKey: FGZKLLGSKKGWOM-SJAMIXPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.93
• 重原子数：
  82.0
• 可旋转键数：
  16.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 四亚甲基二胺 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Preparation and identification of bis(formylmethano)[60]fullerene isomers: the first systematic study on bifunctionalized [60]fullerenes with dissymmetric addends

  摘要：

  Fourteen isomers of bis(formylmethano)C-60 were isolated and characterized. A mixture of the bisadducts was obtained by the reaction Of C-60 with an alpha-formylsulfonium ylide, and then separated into 15 fractions by preparative HPLC, preparative TLC, and recycling preparative HPLC. Fourteen of the fifteen fractions were found to consist of a single isomer, respectively, which were assigned to the trans-2 (3 diastereo-isomers), trans-3 (3 diastereo-isomers), trans-4 (3 diastereo-isomers), equatorial (2 diastereo-isomers) and cis-2 (3 diastereo-isomers) bisadducts by the comparison of their UV/vis spectra with those of the bisadducts obtained by the Bingel-Hirsch reaction. The H-1 and C-13 NMR analysis, the transformation of the formyl groups, and the dipole moment calculation clarified the stereochemistry of the substituents on the two cyclopropane bridge-head carbons (in/in, in/out, and out/out). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.027
• 作为产物：
  描述：

  2-(Dimethyl-λ⁴-sulfanylidene)-decanal 、 足球烯 以 甲苯 为溶剂， 生成 、 、 、
  参考文献：
  名称：

  Preparation and identification of bis(formylmethano)[60]fullerene isomers: the first systematic study on bifunctionalized [60]fullerenes with dissymmetric addends

  摘要：

  Fourteen isomers of bis(formylmethano)C-60 were isolated and characterized. A mixture of the bisadducts was obtained by the reaction Of C-60 with an alpha-formylsulfonium ylide, and then separated into 15 fractions by preparative HPLC, preparative TLC, and recycling preparative HPLC. Fourteen of the fifteen fractions were found to consist of a single isomer, respectively, which were assigned to the trans-2 (3 diastereo-isomers), trans-3 (3 diastereo-isomers), trans-4 (3 diastereo-isomers), equatorial (2 diastereo-isomers) and cis-2 (3 diastereo-isomers) bisadducts by the comparison of their UV/vis spectra with those of the bisadducts obtained by the Bingel-Hirsch reaction. The H-1 and C-13 NMR analysis, the transformation of the formyl groups, and the dipole moment calculation clarified the stereochemistry of the substituents on the two cyclopropane bridge-head carbons (in/in, in/out, and out/out). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.027