| 61083-10-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 61083-10-1
• 化学式: C₁₁H₁₆NO
• 分子量: 179.246
• InChiKey: VICRAWMDVMFKFE-QOWOAITPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  N-叔丁基-α-苯基硝酮 在 氩 、 重水 作用下， 反应 0.01h， 生成
  参考文献：
  名称：

  EPR Spin-Trapping Study of the Sonolysis of H2O/D2O Mixtures: Probing the Temperatures of Cavitation Regions

  摘要：

  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].

  DOI：

  10.1021/j100011a030

文献信息

• Applications of EPR to a study of the hydrogenation of ethene and benzene over a supported Pd catalyst: detection of free radicals on a catalyst surface
  作者：Albert F. Carley、Hywel A. Edwards、Brynmor Mile、M. Wyn Roberts、Christopher C. Rowlands、Fred E. Hancock、S. David Jackson

  DOI：10.1039/ft9949003341

  日期：——

  detecting hydrogen adatoms generated by the dissociative chemisorption of hydrogen on alumina-supported palladium catalysts (<0.04% Pd) at room temperature. By using D2 we have also been able to demonstrate directly the occurrence of hydrogen/deuterium spillover onto the alumina surface by H/D atom transfer to surface hydroxy groups. Alkyl and aromatic free redical intermediates formed by reaction of the

  EPR尽管是可用于检测自由基和顺磁性金属离子的最灵敏技术，但EPR在催化领域并未得到广泛使用，自由基和顺磁性金属离子是许多催化过程的中间产物或参与者。在本文中，我们描述了其在杂化加氢反应过程中检测钯催化剂表面顺磁性中间体的应用。EPR与自旋捕集结合显示，提供了一种方便，简单的方法，用于检测由氢在室温下负载在氧化铝负载的钯催化剂（Pd小于0.04％）上的氢解离化学吸附所产生的氢原子。通过使用D 2我们还能够直接证明通过H / D原子转移至表面羟基而使氢/氘溢出到氧化铝表面的情况。由EP 3首次在催化剂表面观察到由H +原子与烯烃和苯的反应形成的烷基和芳族游离基中间体。与自旋阱，乙烯和苯反应的氢原子不是强烈化学吸附的氢（Pd-H），而是与H 2（g）处于平衡状态的那些弱吸附的H原子。