hydroxymethyl formate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: hydroxymethyl formate
• 英文别名: Hydroxymethylformate
• 化学式: C₂H₄O₃
• 分子量: 76.052
• InChiKey: APUQIHKCZFWODD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  5
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,4-trioxolane 反应 0.67h， 生成 formic anhydride 、 hydroxymethyl formate
  参考文献：
  名称：

  乙烯的基体红外光谱和同位素仲臭氧化物的光解和热解

  摘要：

  DOI：

  10.1021/j100213a019

文献信息

• Mechanism of the ozone-ethene reaction in dilute N2/O2 mixtures near 1-atm pressure
  作者：Charles S. Kan、Fu Su、Jack G. Calvert、John H. Shaw

  DOI：10.1021/j150616a013

  日期：1981.8
• FTIR Spectroscopic Study of the Cl-Atom-Initiated Reactions of Ethylene Oxide in O2/N2 Diluent
  作者：J. Chen、V. Young、P. A. Hooshiyar、H. Niki、M. D. Hurley

  DOI：10.1021/j100012a030

  日期：1995.3

  A long-path FTIR spectroscopic study of the Cl-atom-initiated reactions of ethylene oxide (H2C-O-CH2) was carried out at 297 +/- 2 K in the photolysis (300 nm) of mixtures containing H2C-O-CH2 and Cl-2 in both the torr and millitorr ranges in 700 Torr of N-2 or O-2/N-2 diluent. In 700 Torr of N-2, the only primary product detected was H2C-O-CHCl, formed via (1) Cl + H2C-O-CH2 --> H2C-O-CH + HCl followed by (2) H2C-O-CH + Cl-2 --> H2C-O-CHCl + Cl. Thus, the cyclic oxiranyl radical H2C-O-CH formed in reaction 1 was sufficiently long-lived to react with Cl-2. An upper limit value of k(3) less than or equal to 2 x 10(4) s(-1) has been estimated for the rate constant of the possible oxiranyl-to-vinoxy isomerization: (3) H2C-O-CH --> CH2CHO. The H2C-O-CHCl yield decreased with increase in added O-2 due to the occurrence of reaction 4: (4) H2C-O-CH + O-2 (+ M) --> H2C-O-C(OO)H (+ M). A value of k(2)/k(4) = 2.0 +/- 0.4 was derived from the O-2 dependence of the H2C-O-CHCl yield. In 700 Torr of air, the observed products included C-O-C bonded compounds HC(O)OCHO and CH2(OH)OCHO, and one-carbon species CO, CO2, HCHO, and HC(O)OH, but not C-C bonded products. The preferential formation of C-O-C rather than C-C bonded products suggests the predominant cleavage of the C-C bond rather than the C-O bond in a three membered ring precursor radical. The most likely candidate is the cyclic radical H2C-O-C(O)H formed via self-reaction, i.e., 2H(2)C-O-C(OO)H --> 2H(2)C-O-C(O)H + O-2. A detailed mechanism is proposed for the oxidation of the H2C-O-C(O)H radical leading to the formation of the observed products.
• A FT IR study of a transitory product in the gas-phase ozone-ethylene reaction
  作者：H. Niki、P. D. Maker、C. M. Savage、L. P. Breitenbach

  DOI：10.1021/j150608a020

  日期：1981.4
• Matrix infrared spectra and photolysis and pyrolysis of isotopic secondary ozonides of ethylene
  作者：Michael Hawkins、Christopher K. Kohlmiller、Lester Andrews

  DOI：10.1021/j100213a019

  日期：1982.8