5-(hydroxymethyl)-2-tetrahydrofurfural-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 5-(hydroxymethyl)-2-tetrahydrofurfural-3-one
• 英文别名: 5-Hydroxymethyltetrahydrofuran-3-on-2-carboxaldehyde；5-(hydroxymethyl)-3-oxooxolane-2-carbaldehyde
• 化学式: C₆H₈O₄
• 分子量: 144.127
• InChiKey: OWZVFWUNUFWSQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  cellulose 在 air 作用下， 生成 甲基环戊烯醇酮 、 4-环戊烯-1,3-二酮 、 5-(hydroxymethyl)-2-tetrahydrofurfural-3-one 、 1,4:3,6-dianhydro-α-D-glucopyranose
  参考文献：
  名称：

  Polymer Pyrolysis and Oxidation Studies in a Continuous Feed and Flow Reactor:  Cellulose and Polystyrene

  摘要：

  A dual-zone, continuous feed tubular reactor is developed to assess the potential for formation of products from incomplete combustion in thermal oxidation of common polymers. Solid polymer (cellulose or polystyrene) is fed continuously into a volatilization oven where it fragments and vaporizes. The gas-phase polymer fragments flow directly into a second, main flow reactor to undergo further reaction. Temperatures in the main flow reactor are varied independently to observe conditions needed to convert the initial polymer fragments to CO2 and H2O. Combustion products are monitored at main reactor temperatures from 400 to 850 degrees C and at 2.0-s total residence time with four on-line GC/FIDs; polymer reaction products and intermediates are further identified by GC/MS analysis. Analysis of polymer decomposition fragments at 400 OC encompasses complex oxygenated and aromatic hydrocarbon species, which range from high-molecular-weight intermediates of ca. 300 amu, through intermediate mass ranges down to C-1 and C-2 hydrocarbons, CO, and CO2. Approximately 41 of these species are positively identified for cellulose and 52 for polystyrene. Products from thermal oxidation of cellulose and polystyrene are shown to achieve complete combustion to CO2 and H2O at a main reactor temperature of 850 degrees C under fuel-lean equivalence ratio and 2.0-s reaction time.

  DOI：

  10.1021/es980796q

文献信息

• Polymer Pyrolysis and Oxidation Studies in a Continuous Feed and Flow Reactor:  Cellulose and Polystyrene
  作者：Byung-Ik Park、Joseph W. Bozzelli、Michael R. Booty、Mary J. Bernhard、Karel Mesuere、Charles A. Pettigrew、Ji-Chun Shi、Staci L. Simonich

  DOI：10.1021/es980796q

  日期：1999.8.1

  A dual-zone, continuous feed tubular reactor is developed to assess the potential for formation of products from incomplete combustion in thermal oxidation of common polymers. Solid polymer (cellulose or polystyrene) is fed continuously into a volatilization oven where it fragments and vaporizes. The gas-phase polymer fragments flow directly into a second, main flow reactor to undergo further reaction. Temperatures in the main flow reactor are varied independently to observe conditions needed to convert the initial polymer fragments to CO2 and H2O. Combustion products are monitored at main reactor temperatures from 400 to 850 degrees C and at 2.0-s total residence time with four on-line GC/FIDs; polymer reaction products and intermediates are further identified by GC/MS analysis. Analysis of polymer decomposition fragments at 400 OC encompasses complex oxygenated and aromatic hydrocarbon species, which range from high-molecular-weight intermediates of ca. 300 amu, through intermediate mass ranges down to C-1 and C-2 hydrocarbons, CO, and CO2. Approximately 41 of these species are positively identified for cellulose and 52 for polystyrene. Products from thermal oxidation of cellulose and polystyrene are shown to achieve complete combustion to CO2 and H2O at a main reactor temperature of 850 degrees C under fuel-lean equivalence ratio and 2.0-s reaction time.