Methylene glycol diformate | 32720-34-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methylene glycol diformate
• 英文别名: Methandioldiformiat；Methyleneglycol diformate；formyloxymethyl formate
• CAS: 32720-34-6
• 化学式: C₃H₄O₄
• 分子量: 104.062
• InChiKey: PRJDJMAAFPHJFM-UHFFFAOYSA-N

物化性质

• 沸点：
  126.7±23.0 °C(Predicted)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  7
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-dioxole 生成 Methylene glycol diformate
  参考文献：
  名称：

  通过将单重态氧添加到对二氧杂环戊烯和1,3-二氧杂环戊烷中形成稳定的双环1,2-二氧杂环丁烷

  摘要：

  DOI：

  10.1016/s0040-4039(01)87453-0

文献信息

• Product Study of the OH Radical and Cl Atom Initiated Oxidation of 1,3‐Dioxane
  作者：Jennie Moriarty、John C. Wenger、Howard W. Sidebottom

  DOI：10.1002/cphc.201000503

  日期：2010.12.17

  The products of the hydroxyl (OH) radical and chlorine (Cl) atom initiated oxidation of 1,3‐dioxane are determined under various reaction conditions in a 50 L teflon reaction chamber using FTIR spectroscopy for analysis. The major products detected in all experiments are (2‐oxoethoxy)methyl formate, formic acid and methylene glycol diformate with average molar yields of 0.50±0.05, 0.41±0.02 and 0.03±0

  由羟基（OH）自由基和氯（Cl）原子引发的1,3-二恶烷氧化的产物是在50 L特氟龙反应室中的各种反应条件下使用FTIR光谱法测定的。在所有实验中检测到的主要产物为（2-氧代乙氧基）甲酸甲酯，甲酸和二甲基丙烯酸二甲酯，在NO x存在下，OH引发的氧化的平均摩尔产率分别为0.50±0.05、0.41±0.02和0.03±0.01。。这些产品的收率不会随O 2分压或氧化剂（OH或Cl）的变化而显着变化。但是，在没有NO x的情况下，甲酸的收率至少降低了两倍。。这些实验的结果用于阐明简化的1,3-二恶烷的气相大气降解方案，并提供有关这些反应和类似反应中产生的环状和线性烷氧基自由基在大气中的命运的有价值的信息。现有的实验数据表明，竞争途径的相对重要性（与O 2的反应和CC或CO键裂变引起的开环）是环烷氧基自由基中环应变的强大功能。
• Atmospheric Chemistry of 1,3-Dioxolane:  Kinetic, Mechanistic, and Modeling Study of OH Radical Initiated Oxidation
  作者：C. G. Sauer、I. Barnes、K. H. Becker、H. Geiger、T. J. Wallington、L. K. Christensen、J. Platz、O. J. Nielsen

  DOI：10.1021/jp991025r

  日期：1999.7.1

  An absolute rate pulse radiolysis technique was used to measure k(OH + 1,3-dioxolane) = (8.8 +/- 0.9) x 10(-12) cm(3) molecule(-1) s(-1) at 295 K in 1000 mbar of Ar. Relative rate techniques were used to study the reactions of OH radicals and Cl atoms with 1,3-dioxolane and Cl atoms with ethylene carbonate and methylene glycol diformate at 300 K in 1 bar of synthetic air. Rate coefficients were k(OH + 1,3-dioxolane) = (1.04 +/- 0.16) x 10(-11), k(Cl+ 1,3-dioxolane) = (1.6 +/- 0.3) x 10(-10), k(CI + ethylene carbonate) = (7.1 +/- 1.7) x 10(-12), and k(C1 $ methylene glycol diformate) = (5.6 +/- 0.7) x 10(-13) cm3 molecule(-1) s(-1). OH radical and chlorine atom initiated oxidation of 1,3-dioxolane in 1 bar of N-2/O-2 mixtures at 298 K in the presence of NOx gives ethylene carbonate and methylene glycol diformate, Molar yields of ethylene carbonate and methylene glycol diformate were 0.48 +/- 0.07 and 0.50 +/- 0.14 for OH radical initiation and 0.43 +/- 0.07 and 0.53 +/- 0.07 for Cl atom initiation. Product yields were independent of O-2 partial pressure over the range studied (60-800 mbar). A photochemical mechanism was developed to describe the OH-initiated degradation of 1,3-dioxolane in the presence of NOx. The results are discussed with respect to the available literature data concerning the atmospheric chemistry of ethers.
• Formation of stable bicyclic 1,2-dioxetanes from the addition of singlet oxygen to -dioxene and 1,3-dioxole
  作者：A.Paul Schaap

  DOI：10.1016/s0040-4039(01)87453-0

  日期：1971.1