2-methylvinoxy radical | 83364-10-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methylvinoxy radical
• CAS: 83364-10-7
• 化学式: C₃H₅O
• 分子量: 57.0721
• InChiKey: TWBIDQDUOXHFSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  在 氢气 作用下， 以 水 为溶剂， 生成 2-methylvinoxy radical
  参考文献：
  名称：

  脉冲辐射分解和选举自旋共振研究1,2-二醇和相关化合物中自由基的脱水

  摘要：

  脉冲辐解和ESR光谱的互补技术已经在各种α，β二羟基烷基的基团的[CR脱水的动力学研究已经采用1（OH）CR 2 - [R 3 OH]到相应的羰基共轭的基团[CR 2 - [R 3 C（O）R 1 ]。稳态（esr）和时间分辨（脉冲辐射分解）实验揭示的质子催化脱水的总速率表明了取代基的电子效应的重要性（对比度值为1.2×10 9和9.8×10 8 dm 3摩尔–1 s –1分别来自环己烷-1,2-二醇和丁烷-2,3-二醇的自由基，而赤藓糖醇的自由基分别为4.2×10 6 dm 3 mol –1 s –1）。时间分辨实验允许获得有关质子化物种[speciesCR 1（OH）CR 2 R 3 OH 2 + ]的生成以及该中间体中水分损失的信息。

  DOI：

  10.1039/p29860001003

文献信息

• Reactions of O(³P) with Alkenes:  H, CH₂CHO, CO, and OH Channels
  作者：Robert Quandt、Zhiyuan Min、Xuebin Wang、Richard Bersohn

  DOI：10.1021/jp9730611

  日期：1998.1.1

  The H, CH2CHO, CO, and OH products of the reaction of O(P-3) atom with alkenes were studied by laser-induced fluorescence (LIF) under single-collision conditions. The average kinetic energies of the H atoms were 10-12 kcal/mol. The CO and OH rotational state populations were characterized by near room temperature Boltzmann distributions. The relative LIF intensities of the various products provide vivid proof of the following mechanism for the reaction of O(P-3) atoms with molecules of the form R'RC=CH2, where R' and R are H or an alkyl group. The O atom attaches itself to the less substituted carbon atom forming a triplet ketocarbene. There is a barrier to the release of an H atom, and the rate of release must compete with the sate of intersystem crossing. If an H atom is not released, following the intersystem crossing an H atom migrates to the adjacent C atom forming an energized aldehyde, R'RCH-CH=O. The aldehyde dissociates unimolecularly forming the pair of radicals R'(.) and the substituted vinery (RCH)-R-.-CH=O or the pair R'RCH and HCO. Some of the latter have enough internal energy to dissociate to H and CO. In a side reaction O(P-3) abstracts H atoms but only from allylic C-H bonds. The most remarkable observation is that chemical reactions that do not involve the side chains such as release of H atoms or breakup of HCO depend sensitively on the length of these chains.
• Mezyk, Stephen P., Canadian Journal of Chemistry, 1994, vol. 72, # 9, p. 1116 - 1119
  作者：Mezyk, Stephen P.

  DOI：——

  日期：——
• Peter, A.; Acs, G.; Horvath, I., Acta Chimica Academiae Scientiarum Hungaricae, 1981, vol. 108, # 3, p. 235 - 248
  作者：Peter, A.、Acs, G.、Horvath, I.、Huhn, P.

  DOI：——

  日期：——
• Electron Photodetachment Spectroscopy of (<i>E</i>)- and (<i>Z</i>)-Propionaldehyde Enolate Anions. Electron Affinities of the Stereoisomers of Propionaldehyde Enolate Radicals
  作者：Bettina C. Römer、John I. Brauman

  DOI：10.1021/ja962482d

  日期：1997.2.1
• Pulse radiolysis and election spin resonance studies of the dehydration of radicals from 1,2-diols and related compounds
  作者：Steen Steenken、Michael J. Davies、Bruce C. Gilbert

  DOI：10.1039/p29860001003

  日期：——

  The complementary techniques of pulse-radiolysis and e.s.r. spectroscopy have been employed in a kinetic study of the dehydration of a variety of α,β-dihydroxyalkyl radicals [˙CR1(OH)CR2R3OH] into the appropriate carbonyl-conjugated radicals [˙CR2R3C(O)R1]. The overall rates of proton-catalysed dehydration, as revealed by steady-state (e.s.r.) and time-resolved (pulse-radiolysis) experiments, indicate

  脉冲辐解和ESR光谱的互补技术已经在各种α，β二羟基烷基的基团的[CR脱水的动力学研究已经采用1（OH）CR 2 - [R 3 OH]到相应的羰基共轭的基团[CR 2 - [R 3 C（O）R 1 ]。稳态（esr）和时间分辨（脉冲辐射分解）实验揭示的质子催化脱水的总速率表明了取代基的电子效应的重要性（对比度值为1.2×10 9和9.8×10 8 dm 3摩尔–1 s –1分别来自环己烷-1,2-二醇和丁烷-2,3-二醇的自由基，而赤藓糖醇的自由基分别为4.2×10 6 dm 3 mol –1 s –1）。时间分辨实验允许获得有关质子化物种[speciesCR 1（OH）CR 2 R 3 OH 2 + ]的生成以及该中间体中水分损失的信息。