ethyl 2,5-bis(methoxymethoxy)-3,4-dimethylbenzoate | 816456-12-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2,5-bis(methoxymethoxy)-3,4-dimethylbenzoate
• CAS: 816456-12-9
• 化学式: C₁₅H₂₂O₆
• 分子量: 298.336
• InChiKey: BVDDMOWUXPZOKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  407.7±45.0 °C(Predicted)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2,5-bis(methoxymethoxy)-3,4-dimethylbenzoate 在 magnesium bromide 作用下， 以 苯 为溶剂， 以91%的产率得到ethyl 2-hydroxy-5-methoxymethoxy-3,4-dimethylbenzoate
  参考文献：
  名称：

  First Synthesis of rac-(5-²H₃)-α-CEHC, a Labeled Analogue of a Major Vitamin E Metabolite

  摘要：

  Over the past few years, quantitative determination of alpha- and gamma-CEHC, main urinary metabolites of vitamin E, has been becoming more and more important as a key parameter in assessing oxidative stress and supplementation of tocopherols. The use of deuterated analogues of these metabolites allows their accurate determination even in complex matrixes. While preparation of gamma-CEHC-d(2) has already been described, here we report the first synthesis of alpha-CEHC-d(3) together with alpha-tocopheronolactone-d(3), its oxidation product.

  DOI：

  10.1021/jo048514u
• 作为产物：
  描述：

  2,3-二甲基氢醌 在 叔丁基锂 、 sodium hydride 作用下， 以 正己烷 、 N,N-二甲基甲酰胺 、 正戊烷 为溶剂， 反应 6.0h， 生成 ethyl 2,5-bis(methoxymethoxy)-3,4-dimethylbenzoate
  参考文献：
  名称：

  First Synthesis of rac-(5-²H₃)-α-CEHC, a Labeled Analogue of a Major Vitamin E Metabolite

  摘要：

  Over the past few years, quantitative determination of alpha- and gamma-CEHC, main urinary metabolites of vitamin E, has been becoming more and more important as a key parameter in assessing oxidative stress and supplementation of tocopherols. The use of deuterated analogues of these metabolites allows their accurate determination even in complex matrixes. While preparation of gamma-CEHC-d(2) has already been described, here we report the first synthesis of alpha-CEHC-d(3) together with alpha-tocopheronolactone-d(3), its oxidation product.

  DOI：

  10.1021/jo048514u

文献信息

• First Synthesis of <i>r</i><i>ac</i>-(5-²H₃)-α-CEHC, a Labeled Analogue of a Major Vitamin E Metabolite
  作者：Francesco Mazzini、Thomas Netscher、Piero Salvadori

  DOI：10.1021/jo048514u

  日期：2004.12.1

  Over the past few years, quantitative determination of alpha- and gamma-CEHC, main urinary metabolites of vitamin E, has been becoming more and more important as a key parameter in assessing oxidative stress and supplementation of tocopherols. The use of deuterated analogues of these metabolites allows their accurate determination even in complex matrixes. While preparation of gamma-CEHC-d(2) has already been described, here we report the first synthesis of alpha-CEHC-d(3) together with alpha-tocopheronolactone-d(3), its oxidation product.