Trimethoxymethane radical | 101418-94-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Trimethoxymethane radical
• CAS: 101418-94-4
• 化学式: C₄H₉O₃
• 分子量: 105.114
• InChiKey: AYSIBZGADXHJDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.37
• 重原子数：
  7.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Trimethoxymethane radical 在 hexachloroiridate(IV) 作用下， 以 水 为溶剂， 生成 Dimethoxy(methoxy)methane
  参考文献：
  名称：

  Radiation-chemical production and lifetimes of trialkoxymethyl carbocations in aqueous solution

  摘要：

  DOI：

  10.1021/ja00271a004
• 作为产物：
  描述：

  原甲酸三甲酯 在 水 作用下， 生成 trimethoxymethyl 、 Trimethoxymethane radical
  参考文献：
  名称：

  Radiation-chemical production and lifetimes of trialkoxymethyl carbocations in aqueous solution

  摘要：

  DOI：

  10.1021/ja00271a004

文献信息

• Beckwith, Athelstan L. J.; Brumby, Steven, Journal of the Chemical Society. Perkin transactions II, 1987, p. 1801 - 1808
  作者：Beckwith, Athelstan L. J.、Brumby, Steven

  DOI：——

  日期：——
• Atmospheric Chemistry of Trimethoxymethane, (CH₃O)₃CH; Laboratory Studies
  作者：J. Platz、J. Sehested、O. J. Nielsen、T. J. Wallington

  DOI：10.1021/jp9827476

  日期：1999.4.1

  A pulse radiolysis technique was used to measure the UV absorption spectra of (CH3O)(2)CHOCH2(.) and (CH3O)(2)CHOCH2O2(.) radicals derived from trimethoxymethane over the range 220-320 nm, sigma(250) nm (CH3O)(2)CHOCH2(.) = (2.8 +/- 0.4) x 10(-18) and sigma(250) nm (CH3O)(2)CHOCH2O2(.) = (3.5 +/- 0.4) x 10(-18) cm(2) molecule(-1). The self-reaction rate constants for (CH3O)(2)CHOCH2(.) and (CH3O)(2)CHOCH2O(.) radicals, defined as -d[(CH3O)(2)CHOCH2(.)]/dt = 2k(5)[(CH2O)(2)CHOCH2(.)](2) and -d[(CH3O)(2)CHOCH2O2(.)]/dt = 2k(6) (obs)[(CH3O)(2)-CHOCH2O2(.)](2) were k(5) = (3.5 +/- 0.5) x 10(-11) and k(6) (obs) = (1.3 +/- 0.2) x 10(-11) cm(3) molecule(-1) s(-1). Rate constants for reactions of (CH3O)(2)CHOCH2O2(.) radicals with NO and NO2 were k(7) = (9.0 +/- 1.2) x 10(-12) and k(8) (1.0 +/- 0.2) x 10(-11) cm(3) molecule(-1) s(-1), respectively. Rate constants for the reaction of OH radicals and F atoms with trimethoxymethane and the reaction of (CH3O)(2)CHOCH2(.) radicals with O-2 were k(1) = (6.0 +/- 0.5) x 10(-12), k(3) = (3.0 +/- 0.7) x 10(-10), and k(2) = (9.2 +/- 1.5) x 10(-12) cm3 molecule(-1) s(-1), respectively. Relative rate techniques were used to measure k(Cl + trimethoxymethane) = (1.5 +/- 0.2) x 10(-10) cm(3) molecule(-1) s(-1). OH-radical-initiated oxidation of trimethoxymethane in air gives dimethyl carbonate in a molar yield of 81 +/- 10%. These results are discussed with respect to the atmospheric chemistry of automotive fuel additives.