二羟甲基自由基 | 14840-85-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 二羟甲基自由基
• 英文名称: methylperoxy radical
• 英文别名: Dihydroxymethylradikal
• CAS: 14840-85-8
• 化学式: CH₃O₂
• 分子量: 47.0336
• InChiKey: HBIIMURDAQGNHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二羟甲基自由基 在 氧化亚氮 、 氯 作用下， 生成 羟亚甲基自由基
  参考文献：
  名称：

  甲基二氧基自由基与一氧化氮反应的速率系数为218-365 K

  摘要：

  DOI：

  10.1021/j150620a020
• 作为产物：
  描述：

  甲烷二醇 在 氢气 作用下， 以 水 为溶剂， 生成 二羟甲基自由基
  参考文献：
  名称：

  Kinetics of the reaction of H and D with methanediol and 1,2-ethanediol in aqueous solution

  摘要：

  Kinetic ESR investigation of the reactions of H and D with methanediol (hydrated formaldehyde) and 1,2-ethanediol in liquid water yield rate constants represented by Arrhenius behavior:log(k/M-1 s(-1)) = (12.56 +/- 0.20) - [(31.0 +/- 0.9) kJ mol(-1)/2.303RT)] for H + CH2(OH)(2)log(k/M-1 s(-1)) = (13.16 +/- 0.19) - [(34.6 +/- 0.9) kJ mol(-1)/2.303RT)] for D + CH2(OD)(2)log(k/M-1 s(-1)) = (10.95 +/- 0.18) - [(21.5 +/- 0.9) kJ mol(-1)/2.303RT)] for H + (CH2OH)(2)Ethanediol reacts by abstraction whereas the kinetics of methanediol reflects a temperature dependent contribution of parallel reactions. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0009-2614(01)00639-x

文献信息

• Deuterium Substitution in an Electron Spin Resonance Study of Radiation-induced Free Radicals^1a
  作者：Ichiro Miyagawa、Walter Gordy

  DOI：10.1021/ja01466a006

  日期：1961.3

  Effects of deuterium substitution on the electron spin resonance of x- irradiated organic compounds were investigated. The compounds range from carboxylic acids, amino acids and amides to proteins. Substitution of deuterium for the hydrogens of polar groups--hydroxyl, carboxyl, and amino-- showed that the hydrogens of these groups generally do not contribute, or give only a slight contribution, to

  研究了氘取代对 x 辐照有机化合物的电子自旋共振的影响。这些化合物的范围从羧酸、氨基酸和酰胺到蛋白质。用氘取代极性基团（羟基、羧基和氨基）的氢表明这些基团的氢通常对共振模式的超精细结构没有贡献，或仅贡献很小的贡献。然而，发现了例外，特别是甲酸和甘氨酸。大多数情况下，与碳键合的氢给出了 esr 图案的超精细结构。在某些情况下，由氘取代提供的附加信息允许对自由基进行相当明确的鉴定。（授权）
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C4, 5.4.5.3, page 96 - 97
  作者：

  DOI：——

  日期：——
• A laser flash photolysis kinetic study of reactions of the Cl2? radical anion with oxygenated hydrocarbons in aqueous solution
  作者：H.-W. Jacobi、F. Wicktor、H. Herrmann、R. Zellner

  DOI：10.1002/(sici)1097-4601(1999)31:3<169::aid-kin2>3.0.co;2-k

  日期：——

  A laser photolysis-long path laser absorption (LP-LPLA) experiment has been used to determine the rate constants for H-atom abstraction reactions of the dichloride radical anion (Cl-2(-)) in aqueous solution. From direct measurements of the decay of Cl-2(-) in the presence of different reactants at pH = 4 and I = 0. 1 M the following rate constants at T = 298 K were derived: methanol, (5.1 +/- 0.3) 10(4) M-1 S-1; ethanol, (1.2 +/- 0.2) 10(5) M-1 s(-1); 1-propanol, (1.01 +/- 0.07) 10(5) M-1 s(-1); 2-propanol, (1.9 +/- 0.3) 105 M-1 S-1; tert.-butanol, (2.6 +/- 0.5) 104 M-1 s(-1); formaldehyde, (3.6 +/- 0.5) 10(4) M-1 s(-1); diethylether, (4.0 +/- 0.2) 10(5) M-1 s(-1); methyltert.-butylether, (7 +/- 1) 10(4) M-1 s(-1); tetrahydrofuran, (4.8 +/- 0.6) 105 M-1 s(-1); acetone, (1.41 +/- 0.09) 10(3) M-1 s(-1). For the reactions of Cl-2(-) with formic acid and acetic acid rate constants of (8.0 +/-: 1.4) 10(4) M-1 s(-1) (pH = 0, I = 1.1 M and T= 298 K) and (1.5 +/- 0.8) 10(3) M-1 s(-1) (pH = 0.42, I = 0.48 M and T= 298 K), respectively, were derived.A correlation between the rate constants at T = 298 K for all oxygenated hydrocarbons and the bond dissociation energy (BDE) of the weakest C-H-bond of log k(2nd) = (32.9 +/- 8.9) (0.073 +/- 0.022) BDE/kJ mol(-1) is derived.From temperature-dependent measurements the following Arrhenius expressions were derived:k(Cl-2(-) + HCOOH) = (2.00 +/- 0.05) . 10(10 .) exp(-(4500 +/- 200) K/T) M-1 s(-1),E-a = (37 +/- 2) kJ mol(-1)k(Cl-2(-) + CH3COOH) = (2.7 +/- 0.5) .10(10) . exp(-(4900 +/- 1300) k/T) M-1 s(-1),E-a= (41 +/- 11) kJ mol(-1).
• Temperature dependence of the self-reaction of methyldioxy radicals
  作者：Stanley P. Sander、Robert T. Watson

  DOI：10.1021/j150620a023

  日期：1981.10
• Photoelimination of hydrogen atom from radicals in methane and xenon matrixes. Photodecomposition of CH3O2
  作者：Debasis Bhattacharya、John E. Willard

  DOI：10.1021/j100395a025

  日期：1982.3