2,5-dihydroxy-3,4-dimethylbenzoic acid | 31519-21-8

• 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: 2,5-dihydroxy-3,4-dimethylbenzoic acid
• 英文别名: 3,4-Dimethylgentisinsaeure；Urqvhutzeaoiqc-uhfffaoysa-
• CAS: 31519-21-8
• 化学式: C₉H₁₀O₄
• 分子量: 182.176
• InChiKey: URQVHUTZEAOIQC-UHFFFAOYSA-N

物化性质

• 熔点：
  208-211 °C
• 沸点：
  409.9±45.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-dihydroxy-3,4-dimethylbenzoic acid 、 氯甲酸乙酯 在 三乙胺 作用下， 反应 2.0h， 生成
  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 盐酸 、 氢氧化钾 、 叔丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 水 、 N,N-二甲基甲酰胺 、 正戊烷 为溶剂， 反应 8.0h， 生成 2,5-dihydroxy-3,4-dimethylbenzoic acid
  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

• Photographic material suited for use in diffusion transfer photography
  申请人：AGFA-GEVAERT naamloze vennootschap

  公开号：EP0038092A1

  公开（公告）日：1981-10-21

  A photographic material for diffusion transfer photography containing a quinonoid compound, which is capable in reduced state and under alkaline conditions of releasing a photographically useful group and corresponds to one of the following general formulae: wherein: each of (Nuox)' and (Nuox)2 (same or different) represents an oxidized nucleophilic group, Z represents a bivalent atom or bivalent atomic group, which is electro-negative, Q together with the group Z represents a releasable photographically useful group, Y' and Y2 together represent the necessary atoms to close a p-quinonoid ring substituted with (a) directly linked monovalent organic ring or ring system substituent(s) having aromatic character, Y' represents the necessary atoms to close a o-quinonoid ring substituted with (a) directly linked monovalent organic ring or ring system substituent(s) having aromatic character, and each of R' and R' (same or different) represents hydrogen or a (substituted) hydrocarbon group, and at least one of R', R' and a substituent on the quinonoid ring being or carrying a ballasting group.

  一种用于扩散转移摄影的感光材料，含有醌类化合物，在还原状态和碱性条件下能释放出对摄影有用的基团，并符合以下通式之一： 其中 (Nuox)'和 (Nuox)2（相同或不同）中的每一个代表一个氧化亲核基团、 Z 代表负电性的二价原子或二价原子团、 Q 与基团 Z 一起代表可释放的摄影用基团、 Y'和 Y2 共同代表关闭被（a）具有芳香特性的直接相连的一价有机环或环系取代基取代 的对醌环所需的原子、 Y' 代表关闭被具有芳香性质的（a）直接相连的一价有机环或环系取代基取代的邻 喹啉环所需的原子，以及 R'和 R'（相同或不同）各自代表氢或（取代的）烃基，R'、R'和喹啉环上的取代基中至少有一个是或带有压载基。
• US4371604A
  申请人：——

  公开号：US4371604A

  公开（公告）日：1983-02-01
• 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.

表征谱图