| 80402-70-6

• CAS: 80402-70-6
• 化学式: C₆H₁₂NO
• 分子量: 115.159
• InChiKey: JRJZLZJTRSGZBR-UICOGKGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.21
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.14
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1-吡咯啉-N-氧化物 在 重水 作用下， 以 乙腈 为溶剂， 反应 0.01h， 生成
  参考文献：
  名称：

  五元环硝酮自旋阱氢原子加合物的电化学-ESR检测

  摘要：

  为了使自旋捕获技术在生物自由基研究中更有用，使用专门设计的 ESR 电池进行原位电化学反应，五个 5 元环硝酮，它们是 5,5-二甲基-1-吡咯啉 N-的类似物氧化物 (DMPO) 是最常用的自旋陷阱之一，已对其氢原子 (•H) 加合物的形成进行了探索。讨论了仅由 •H 加合物组成的 ESR 谱和由此产生的 ESR 参数。

  DOI：

  10.1246/bcsj.75.149

文献信息

• Enhanced acyl radical formation in the Au nanoparticle-catalysed aldehydeoxidation
  作者：Marco Conte、Hiroyuki Miyamura、Shū Kobayashi、Victor Chechik

  DOI：10.1039/b918200d

  日期：——

  EPR spectroscopy and spin-trapping experiments showed that polymer-encapsulated Au nanoparticles promote aldehydeoxidationvia a radical pathway by initiating formation of acyl radicals.

  EPR光谱和自旋捕获实验表明，聚合物包封的金纳米颗粒通过启动酰基自由基的形成，以自由基途径促进醛的氧化。
• Chemical effects of ultrasound on aqueous solutions. Formation of hydroxyl radicals and hydrogen atoms
  作者：Keisuke Makino、Magdi M. Mossoba、Peter Riesz

  DOI：10.1021/j100231a020

  日期：1983.4
• Conte, Marco; Miyamura, Hiroyuki; Kobayashi, Shu, Journal of the American Chemical Society, 2009, vol. 131, p. 7189 - 7196
  作者：Conte, Marco、Miyamura, Hiroyuki、Kobayashi, Shu、Chechik, Victor

  DOI：——

  日期：——
• EPR Spin-Trapping Study of the Sonolysis of H2O/D2O Mixtures: Probing the Temperatures of Cavitation Regions
  作者：Vladimir Misik、Norio Miyoshi、Peter Riesz

  DOI：10.1021/j100011a030

  日期：1995.3

  High temperatures and pressures are generated during the violent collapse of acoustic cavitation bubbles produced by ultrasound in liquids. The semiclassical model of the temperature dependence of the kinetic isotope effect for H-. and D-. atom formation was used to estimate the effective temperature of the hot cavitation regions in which H-. and D-. atoms are formed by ultrasound-induced pyrolysis of water molecules. The H-. and D-. atoms were formed in argon-saturated H2O and D2O mixtures (1:1) exposed to 50 kHz ultrasound and were detected by spin trapping with the nitrone spin traps N-tert-butyl-alpha-phenylnitrone (PEN), alpha-(4-pyridyl-1 -oxy)-N-tert-butylnitrone (POBN), alpha-(4-pyridyl-1-methyl)-N-tert-butylnitrone (PYBN), and 5,5-dimethyl-1-pyrroline N-oxide (DMPO). The resulting spin adducts were identified and quantified by EPR spectroscopy. Because of the higher stability of H- and D-adducts, the PEN-type spin traps were found to be more suitable than DMPO for the measurement of H-. and D-. atoms (in our experimental system the half-lifes of PBN/H-. and DMPO/H-. were similar to 600 and similar to 40 s, respectively). An isotope effect on spin adduct stability was also observed: the decay rates of PEN-type H-adducts were similar to 1.2 times higher than those of the corresponding D-adducts, and the decay rate of DMPO/H-. was 2.4 times higher than that of DMPO/D-.. The effective temperatures of O-H bond pyrolysis determined from the semiclassical treatment are in the region of similar to 2000-4000 K using the PEN-type spin traps. This estimate may be compared to the temperatures (similar to 5000 K) determined by Suslick ct al. for the gas phase of the cavitation bubbles in alkanes and (approximate to 1900 K) for the interfacial region of the cavitation bubbles [Suslick, K. S., ct al. J. Am. Chem. Sec. 1986, 108, 5641].