4-{4-[(2,4,6-triphenylpyridinio)benzoyloxy]}-2,2,6,6-tetramethylpiperidine-1-oxyl perchlorate | 1173088-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-{4-[(2,4,6-triphenylpyridinio)benzoyloxy]}-2,2,6,6-tetramethylpiperidine-1-oxyl perchlorate
• CAS: 1173088-88-4
• 化学式: C₃₉H₃₈N₂O₃*ClO₄
• 分子量: 682.193
• InChiKey: HALLPJQQNHDSOF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  49.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  145.56
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-{4-[(2,4,6-triphenylpyridinio)benzoyloxy]}-2,2,6,6-tetramethylpiperidine-1-oxyl perchlorate 在 氘代甲醇 、 奎诺二甲基丙烯酸酯 作用下， 反应 0.42h， 生成
  参考文献：
  名称：

  A new dual probe for hydrogen abstraction

  摘要：

  A new dual (fluorescent and spin) probe is described, where a N-aryl-2,4,6-triphenylpyridinium fluorophore is attached to a TEMPO fragment through ail amide link. The resulting sensor 4 was evaluated as a hydrogen-abstracting agent in acetonitrile and in ail aqueous solution of reduced Triton-X 100, being as resistant to hydrolysis as quinoline-TEMPO 1, but more hydrophobic than this probe. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.073
• 作为产物：
  描述：

  2,4,6-三苯基吡喃鎓高氯酸盐 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 50.0h， 生成 4-{4-[(2,4,6-triphenylpyridinio)benzoyloxy]}-2,2,6,6-tetramethylpiperidine-1-oxyl perchlorate
  参考文献：
  名称：

  A new dual probe for hydrogen abstraction

  摘要：

  A new dual (fluorescent and spin) probe is described, where a N-aryl-2,4,6-triphenylpyridinium fluorophore is attached to a TEMPO fragment through ail amide link. The resulting sensor 4 was evaluated as a hydrogen-abstracting agent in acetonitrile and in ail aqueous solution of reduced Triton-X 100, being as resistant to hydrolysis as quinoline-TEMPO 1, but more hydrophobic than this probe. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.073