4-[5-Fluoro-3-nitro-2,4-bis[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxy]-6-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)oxyphenoxy]-2,2,6,6-tetramethylpiperidin-1-ium 1-oxide | 1239967-17-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[5-Fluoro-3-nitro-2,4-bis[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxy]-6-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)oxyphenoxy]-2,2,6,6-tetramethylpiperidin-1-ium 1-oxide
• 英文别名: 4-[5-fluoro-3-nitro-2,4-bis[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxy]-6-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)oxyphenoxy]-2,2,6,6-tetramethylpiperidin-1-ium 1-oxide
• CAS: 1239967-17-9
• 化学式: C₄₂H₆₈FN₅O₁₀
• 分子量: 822.028
• InChiKey: QVCFAAWTHTZPBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  58
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  176
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  阻聚剂701 、 五氟硝基苯 在 sodium amide 作用下， 以 1,3-二甲基-2-咪唑啉酮 为溶剂， 反应 0.5h， 以50%的产率得到4-[5-Fluoro-3-nitro-2,4-bis[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)oxy]-6-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)oxyphenoxy]-2,2,6,6-tetramethylpiperidin-1-ium 1-oxide
  参考文献：
  名称：

  Synthesis of Polynitroxides Based on Nucleophilic Aromatic Substitution

  摘要：

  The scope and limitations of the synthesis of polynitroxides by nucleophilic substitution of electron-deficient fluorinated aromatic compounds are described. The method provides a facile route to the formation of polynitroxides exhibiting strong electron exchange between nitroxide groups.

  DOI：

  10.1021/ol101529u

文献信息

• Synthesis of Polynitroxides Based on Nucleophilic Aromatic Substitution
  作者：Olaf Zeika、Yongjun Li、Steffen Jockusch、Gerard Parkin、Aaron Sattler、Wesley Sattler、Nicholas J. Turro

  DOI：10.1021/ol101529u

  日期：2010.8.20

  The scope and limitations of the synthesis of polynitroxides by nucleophilic substitution of electron-deficient fluorinated aromatic compounds are described. The method provides a facile route to the formation of polynitroxides exhibiting strong electron exchange between nitroxide groups.