p-Methoxybenzoyl-tert.-butyl-nitroxid | 53545-01-0

• 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: p-Methoxybenzoyl-tert.-butyl-nitroxid
• CAS: 53545-01-0
• 化学式: C₁₂H₁₆NO₃
• 分子量: 222.264
• InChiKey: MOLNUOADRRAYSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  49.44
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  对甲氧基苯甲酰氯 在 potassium hexacyanoferrate(III) 作用下， 反应 8.0h， 生成 p-Methoxybenzoyl-tert.-butyl-nitroxid
  参考文献：
  名称：

  Alewood,P.F. et al., Journal of the Chemical Society. Perkin transactions I, 1978, p. 1066 - 1076

  摘要：

  DOI：

文献信息

• Acyl nitroxides. Part 4. Estimation of OH bond dissociation energies for N-t-butylhydroxamic acids
  作者：Terence C. Jenkins、M. John Perkins

  DOI：10.1039/p29830000717

  日期：——

  constants for the hydrogen exchange reactions between N-t-butylhydroxamic acids and the stable piperidine N-oxyl (1); since the O–H bond strength in (1)-H is known, this gives an estimate of the O–H bond strengths in the hydroxamic acids. These are found to be stronger than those in dialkyl nitroxide and increase with increasing electron demand in the acyl group.

  Esr光谱已用于确定N-叔丁基异羟肟酸与稳定的哌啶N-氧基之间的氢交换反应的平衡常数（1）; 由于已知（1）-H中的O-H键强度，因此可以估算出异羟肟酸中的O-H键强度。发现它们比二烷基硝基氧中的那些强，并且随着酰基中电子需求的增加而增加。
• Mass Spectrometry and Electron Paramagnetic Resonance Study of Free Radicals Spontaneously Formed in Nitrone−Peracid Reactions
  作者：Hong Sang、Edward G. Janzen、Brian H. Lewis

  DOI：10.1021/jo952031w

  日期：1996.1.1

  Reactions of spin traps (C-phenyl N-tert-butyl nitrone (PEN) and 5,5-dimethyl-2-phenyl-1-pyrroline N-oxide (2-Ph-DMPO)) with peracids have been investigated by both mass spectrometry (MS) and electron paramagnetic resonance(EPR). The peracids m-chloroperbenzoic acid, perbenzoic acid, and perpropionic acid, which can be considered models of biological peracids produced during lipid peroxidation, were found to react with spin traps to spontaneously produce significant amount of aminoxyl radicals, The radical products, as well as the nonradical products were detected and their structures identified by EPR and/or MS. Mechanisms for the formation of these products are proposed.
• Spontaneous free-radical formation in reactions of m-chloroperbenzoic acid with C-phenyl-N-tert-butylnitrone (PBN) and 3- or 4-substituted PBN's
  作者：Edward G. Janzen、Chiou Rong Lin、Randall D. Hinton

  DOI：10.1021/jo00032a002

  日期：1992.3

  A molecular reaction between m-chloroperbenzoic acid and C-phenyl-N-tert-butylnitrone (PBN) produces significant amounts of aminoxyl radicals assigned to the m-chlorobenzoyloxyl adduct of PBN and benzoyltert-butylaminoxyl.