2-methyl-3,4-dihydroxybenzoic acid | 80003-83-4

• 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-methyl-3,4-dihydroxybenzoic acid
• 英文别名: 3,4-dihydroxy-5-methyl-benzoic acid；3,4-dihydroxy-5-methylbenzoic acid
• CAS: 80003-83-4
• 化学式: C₈H₈O₄
• 分子量: 168.149
• InChiKey: GGUKSPTUCLPPNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  甲醇 、 2-methyl-3,4-dihydroxybenzoic acid 在 盐酸 作用下， 以80%的产率得到3.4-Dihydroxy-5-methylbenzoesaeuremethylester
  参考文献：
  名称：

  Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions

  摘要：

  本发明涉及一般式的CGRP拮抗剂 其中A、X、Q和R 1 至R 3 如权利要求书中所定义， 其互变异构体、异构体、二对映异构体、对映异构体、水合物、混合物及其盐和盐的水合物，特别是其与无机或有机酸形成的生理上可接受的盐，含有这些化合物的药物组合物，它们的用途和制备它们的方法。

  公开号：

  US20050256099A1
• 作为产物：
  描述：

  3-甲基-4,5-二甲氧基苯甲酸 在 吡啶盐酸盐 、 柠檬酸 作用下， 以 水 为溶剂， 反应 2.0h， 以90%的产率得到2-methyl-3,4-dihydroxybenzoic acid
  参考文献：
  名称：

  Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions

  摘要：

  本发明涉及一般式的CGRP拮抗剂 其中A、X、Q和R 1 至R 3 如权利要求书中所定义， 其互变异构体、异构体、二对映异构体、对映异构体、水合物、混合物及其盐和盐的水合物，特别是其与无机或有机酸形成的生理上可接受的盐，含有这些化合物的药物组合物，它们的用途和制备它们的方法。

  公开号：

  US20050256099A1

文献信息

• Therapeutic Aryl-Amido-Aryl Compounds and Their Use
  申请人：Corcoran Jonathan Patrick Thomas

  公开号：US20120149737A1

  公开（公告）日：2012-06-14

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-amido-aryl compounds of the following formula (for convenience, collectively referred to herein as “AAA compounds”), which, inter alia, are (selective) retinoic acid receptor α (RARα) agonists. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to (selectively) activate RARα, and in the treatment of diseases and conditions that are mediated by RARα, that are ameliorated by the activation of RARα, etc., including cognitive disorders, memory impairment, memory deficit, senile dementia, Alzheimer's disease, early stage Alzheimer's disease, intermediate stage Alzheimer's disease, late stage Alzheimer's disease, cognitive impairment, and mild cognitive impairment.

  本发明涉及治疗化合物领域，更具体地涉及以下公式的某些芳基酰胺-芳基化合物（为方便起见，以下统称为“AAA化合物”），其为（选择性）视黄酸受体α（RARα）激动剂。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体外和体内（选择性地）激活RARα，并用于治疗由RARα介导的疾病和症状，以及通过激活RARα改善的疾病和症状，包括认知障碍、记忆障碍、记忆缺陷、老年性痴呆、阿尔茨海默病、早期阿尔茨海默病、中期阿尔茨海默病、晚期阿尔茨海默病、认知损害和轻度认知损害。
• ANTIOXIDANT, ANTIOXIDANT COMPOSTION AND PRODUCTION METHOD THEREFOR
  申请人：Watanabe Mitsugu

  公开号：US20130303629A1

  公开（公告）日：2013-11-14

  Problem To provide an antioxidant, an antioxidant composition, and a method for producing the antioxidant and the antioxidant composition, which feature a high content rate and degree of extraction of substances. These substances are taurine, glycogen, protein, so-called blood platelet anticoagulant with zinc, fat-soluble vitamin with a high activation such as vitamin D, and other useful substances. The antioxidant and the antioxidant composition also feature a so-called antioxidative property, which has recently attracted attention. Solution The present invention, for example, includes 3,5 -dihydroxy- 4 -methoxybenzyl alcohol.

  提供一种抗氧化剂、抗氧化剂组合物以及制备该抗氧化剂和抗氧化剂组合物的方法，其具有高含量和高提取度的物质。这些物质包括牛磺酸、糖原、蛋白质、所谓的含锌的抗凝血血小板抗凝剂、具有高活性的脂溶性维生素如维生素D等其他有用物质。抗氧化剂和抗氧化剂组合物还具有所谓的抗氧化性质，最近引起了人们的关注。解决方案例如包括3,5-二羟基-4-甲氧基苯甲醇。
• Novel enrichment methods for gallic acid esters including 1-O-galloy1-bata-D-glucose and mucic acid gallates medicaments, therapeutic applications and methods of treatment thereof
  申请人：Majeed Muhammed

  公开号：US20100034762A1

  公开（公告）日：2010-02-11

  Improved methods to prepare aqueous extracts of gallic acid esters including 1-O-galloyl-β- D -glucose (β-glucogallin) and other mucic acid gallates from the fruits of Emblica officinalis, wherein enrichment of gallic acid esters is achieved by Supercritical Fluid Extraction (SCFE) procedure, are disclosed. The use of such standardized extracts of gallic acid esters (greater than 40% w/w of gallic acid esters) in the manufacture of medicaments with diverse health benefits, is also disclosed.

  本文揭示了改进的方法，用于制备源自灰背鸮果实的没食子酸酯水提物，包括1-O-没食子酸-β-D-葡萄糖（β-葡萄糖酰没食子酸）和其他黏液酸没食子酸酯。其中，通过超临界流体萃取（SCFE）过程实现了没食子酸酯的富集。本文还揭示了使用这种标准化的没食子酸酯提取物（含有大于40％w / w的没食子酸酯）制造具有多种健康益处的药物的方法。
• Regioselective<i>para</i>-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase
  作者：Stefan E. Payer、Stephen A. Marshall、Natalie Bärland、Xiang Sheng、Tamara Reiter、Andela Dordic、Georg Steinkellner、Christiane Wuensch、Susann Kaltwasser、Karl Fisher、Stephen E. J. Rigby、Peter Macheroux、Janet Vonck、Karl Gruber、Kurt Faber、Fahmi Himo、David Leys、Tea Pavkov-Keller、Silvia M. Glueck

  DOI：10.1002/anie.201708091

  日期：2017.10.23

  prFMN-dependent enzyme that is capable of directly carboxylating aromatic catechol substrates under ambient conditions. A reaction mechanism for the reversible decarboxylation involving an intermediate with a single covalent bond between a quinoid adduct and cofactor is proposed, which is distinct from the mechanism of prFMN-associated 1,3-dipolar cycloadditions in related enzymes.

  利用二氧化碳作为有机合成的碳源满足了化学品生产更加可持续性的迫切需求。在此，我们报告了酶催化儿茶酚的对位羧化，使用属于 UbiD 酶家族的 3,4-二羟基苯甲酸脱羧酶 (AroY)。晶体结构和随附的溶液数据证实，AroY 利用最近发现的异戊二烯化 FMN (prFMN) 辅因子，并且需要氧化成熟才能形成具有催化能力的 prFMNiminium 物质。本研究报告了 prFMN 依赖性酶的体外重建和激活，该酶能够在环境条件下直接羧化芳香族儿茶酚底物。提出了一种涉及醌型加合物和辅因子之间具有单共价键的中间体的可逆脱羧反应机制，该机制不同于相关酶中与 prFMN 相关的 1,3-偶极环加成机制。
• CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME
  申请人：YASUMATSU Masashi

  公开号：US20150025213A1

  公开（公告）日：2015-01-22

  Here is provided a charge control resin which is prompt in charge rising up, excellent in electrostatic charging propensity and easy in manufacturing. This charge control resin contains a polymer as an active ingredient having a constituent unit represented by following Formula (1) in the Formula (1), R 1 is independent of one another, and is a hydrogen atom, a hydroxyl group, a halogen atom, a carboxy-containing group, a straight-chained or branched alkyl group having 1-18 carbon atoms, or a straight-chained or branched alkoxy group having 1-18 carbon atoms; R 2 is a hydrogen atom, a hydroxyl group, a halogen atom, a carboxy-containing group, a straight-chained or branched alkyl group having 1-18 carbon atoms, or a straight-chained or branched alkoxy group having 1-18 carbon atoms; g is a number of 1-3; h is a number of 1-3; and M is a hydrogen atom, an alkali metal, a straight-chained or branched alkyl group having 1-18 carbon atoms, an ammonium radical or a mixture of any of these.

  这里提供了一种电荷控制树脂，它在电荷上升方面快速，具有优异的静电充电倾向并且易于制造。该电荷控制树脂包含一种聚合物作为活性成分，该聚合物具有由以下公式（1）表示的组成单元。在公式（1）中，R1互不相同，可以是氢原子、羟基、卤素原子、含羧基的基团、直链或支链烷基（碳数为1-18）或直链或支链烷氧基（碳数为1-18）；R2可以是氢原子、羟基、卤素原子、含羧基的基团、直链或支链烷基（碳数为1-18）或直链或支链烷氧基（碳数为1-18）；g为1-3的数字；h为1-3的数字；M可以是氢原子、碱金属、直链或支链烷基（碳数为1-18）、铵基或任何这些的混合物。