hydroperoxymethyl acetate

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氢过氧化物
• 英文名称: hydroperoxymethyl acetate
• 英文别名: Hydroperoxymethyl acetate
• 化学式: C₃H₆O₄
• 分子量: 106.078
• InChiKey: AIBRVUZTVKELQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙烯 、 溶剂黄146 在 臭氧 作用下， 21.9 ℃ 、97.33 kPa 条件下， 生成 聚合甲醛 、 甲酸 、 二氧化碳 、 一氧化碳 、 hydroperoxymethyl acetate 、 甲乙酐
  参考文献：
  名称：

  Gas-phase ozonolysis of ethene in the presence of hydroxylic compounds

  摘要：

  Ozonolysis of C2H4 was carried out at 295 K in 730 torr synthetic air in the concentration ranges of [O-3](0) = 1.9-8.2 ppm and [C2H4](0) = 4.0-15.0 ppm, in the absence and presence of the added HCOOH (1ppm), CH3COOH (1-10 ppm), and CH3OH (36-100 ppm). In the absence of the added compounds, a nearly complete analysis of the reaction products was achieved, with the yields expressed relative to the converted C2H4: HCHO 0.98, CO 0.26, CO2 0.18, HCOOH 0.05, and the sum of formic acid anhydride (FAN) and hydroperoxymethyl formate (HPMF), CHO-O-CH2OOH, 0.19. in the presence of the added HCOOH, the yield of [FAN + HPMF] increased. The addition of CH,COOH suppressed the formation of FAN and HPMF completely. The addition of large excesses of CH3OH also decreased the yield of [FAN + HPMF] significantly In both cases, new products with the formula R-O-CH2OOH where R = CH2CO and CH3 for CH3COOH and CH3OH, respectively, were formed. The present results, together with the formation of hydroxymethyl hydroperoxide, HO-CH3OOH, with added water vapor (Horie et al., Geophys. Res. Lett., 21, 1523, (1994)) were explained by the reaction of the Criegee biradical CH2OO with the added hydroxy compounds ROH. Formation of the products with the general formula R-O-CH2OOH indicates that the RO-H bond fission has taken place. (C) 1996 John Wiley & Sons, Inc.

  DOI：

  10.1002/(sici)1097-4601(1996)28:10<721::aid-kin2>3.0.co;2-p

文献信息

• Gas-phase ozonolysis of ethene in the presence of hydroxylic compounds
  作者：Peter Neeb、Osamu Horie、Geert K. Moortgat

  DOI：10.1002/(sici)1097-4601(1996)28:10<721::aid-kin2>3.0.co;2-p

  日期：——

  Ozonolysis of C2H4 was carried out at 295 K in 730 torr synthetic air in the concentration ranges of [O-3](0) = 1.9-8.2 ppm and [C2H4](0) = 4.0-15.0 ppm, in the absence and presence of the added HCOOH (1ppm), CH3COOH (1-10 ppm), and CH3OH (36-100 ppm). In the absence of the added compounds, a nearly complete analysis of the reaction products was achieved, with the yields expressed relative to the converted C2H4: HCHO 0.98, CO 0.26, CO2 0.18, HCOOH 0.05, and the sum of formic acid anhydride (FAN) and hydroperoxymethyl formate (HPMF), CHO-O-CH2OOH, 0.19. in the presence of the added HCOOH, the yield of [FAN + HPMF] increased. The addition of CH,COOH suppressed the formation of FAN and HPMF completely. The addition of large excesses of CH3OH also decreased the yield of [FAN + HPMF] significantly In both cases, new products with the formula R-O-CH2OOH where R = CH2CO and CH3 for CH3COOH and CH3OH, respectively, were formed. The present results, together with the formation of hydroxymethyl hydroperoxide, HO-CH3OOH, with added water vapor (Horie et al., Geophys. Res. Lett., 21, 1523, (1994)) were explained by the reaction of the Criegee biradical CH2OO with the added hydroxy compounds ROH. Formation of the products with the general formula R-O-CH2OOH indicates that the RO-H bond fission has taken place. (C) 1996 John Wiley & Sons, Inc.