1,2,3,4-tetrahydroxybenzene | 642-96-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,2,3,4-tetrahydroxybenzene
• 英文别名: 1,2,3,4-Tetrahydroxy-benzol；1,2,3,4-Benzenetetrol；benzene-1,2,3,4-tetrol
• CAS: 642-96-6
• 化学式: C₆H₆O₄
• 分子量: 142.111
• InChiKey: VERMEZLHWFHDLK-UHFFFAOYSA-N

物化性质

• 熔点：
  159-161 °C
• 沸点：
  421.5±40.0 °C(Predicted)
• 密度：
  1.709±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,3,4-tetrahydroxybenzene 在 sodium hydroxide 、 正丁基锂 、 四甲基乙二胺 作用下， 生成 2,3,4,5-四甲氧基甲苯
  参考文献：
  名称：

  Synthesis of 1,2,3,4-Tetrahydroxybenzene from d-Glucose:  Exploiting myo-Inositol as a Precursor to Aromatic Chemicals

  摘要：

  DOI：

  10.1021/ja9840293
• 作为产物：
  描述：

  2,4,6/3,5-pentahydroxycyclohexanone 在 硫酸 作用下， 反应 9.0h， 以66%的产率得到1,2,3,4-tetrahydroxybenzene
  参考文献：
  名称：

  Synthesis of 1,2,3,4-Tetrahydroxybenzene from d-Glucose:  Exploiting myo-Inositol as a Precursor to Aromatic Chemicals

  摘要：

  DOI：

  10.1021/ja9840293

文献信息

• Deoxygenation of Polyhydroxybenzenes:  An Alternative Strategy for the Benzene-Free Synthesis of Aromatic Chemicals
  作者：Chad A. Hansen、J. W. Frost

  DOI：10.1021/ja0176346

  日期：2002.5.1

  e requires 2 enzyme-catalyzed and 2 chemical steps. By contrast, synthesis of hydroquinone using the shikimate pathway and intermediacy of quinic acid requires 18 enzyme-catalyzed steps and 1 chemical step. Methylation of triacetic acid lactone, cyclization, and regioselective deoxygenation of phloroglucinol methyl ether affords resorcinol. Given the ability to synthesize triacetic acid lactone from

  在葡萄糖和芳香族化学品（如连苯三酚、对苯二酚和间苯二酚）之间建立了新的合成联系。这种方法的核心是从 1,2,3,4-四羟基苯、羟基氢醌和间苯三酚甲基醚中去除一个氧原子，分别形成连苯三酚、氢醌和间苯二酚。脱氧是通过起始多羟基苯的 Rh 催化氢化，然后是推定的二氢中间体的酸催化脱水来完成的。连苯三酚合成包括将葡萄糖转化为肌醇，氧化为肌 2-肌糖，脱水为 1,2,3,4-四羟基苯，以及脱氧形成连苯三酚。通过 myo-2-inosose 合成连苯三酚需要 4 个酶催化和 2 个化学步骤。为了比较，通过没食子酸中间体和莽草酸途径从葡萄糖合成连苯三酚需要至少 20 个酶催化步骤。一种新的对苯二酚的无苯合成采用将葡萄糖转化为 2-脱氧青蟹肌糖，将该肌糖脱水为羟基氢醌，然后脱氧形成对苯二酚。通过 2-脱氧青蟹肌糖合成氢醌需要 2 个酶催化和 2 个化学步骤。相比之下，使用莽草酸途径和奎尼酸中间体合成对苯二酚需要
• POLYMER-CARBOHYDRATE CONJUGATES FOR DRUG DELIVERY TECHNOLOGY
  申请人：Wu Nian

  公开号：US20150157721A1

  公开（公告）日：2015-06-11

  The invention comprises compounds, methods of making, and methods of using. The compounds may have a linear or cylic backbone and three or four appended functional groups: one or two lipohilic compounds including sterols or “fat soluble” vitamins, one or two hydrophilic polymer, and one or two carbohydrate. A group of polymer-carbohydrate conjugates having a central backbone and three appended functional groups are disclosed wherein one lipophilic compound is void of both steroid acids. The conjugate may have fatty acids as the primary lipophilic carrier, one hydrophilic polymer, and one carbohydrate. Specific functional groups may be selected for specific applications in formulating pharmaceuticals, cosmetics, nutriceuticals, and the like. Typical coupling reaction of the conjugates may involve one or more or combinations or in series of alkylation including N-alkylation or O-alkylation, etherification, esterification and amidation chemical processes. A variety of linkers between the backbone and functional groups may also be selected to modify the carriers or center backbones for the coupling reactions and optimize performance of the conjugates.

  该发明包括化合物、制备方法和使用方法。这些化合物可能具有线性或环状的骨架，以及三个或四个附加的功能基团：一个或两个疏水化合物，包括固醇或“脂溶性”维生素，一个或两个亲水性聚合物，以及一个或两个碳水化合物。公开了一组具有中心骨架和三个附加功能基团的聚合物-碳水化合物共轭物，其中一个疏水性化合物不含类固醇酸。该共轭物可能以脂肪酸作为主要疏水载体，一个亲水性聚合物和一个碳水化合物。特定的功能基团可以根据在制备药物、化妆品、营养保健品等方面的具体应用而选择。共轭物的典型偶联反应可能涉及一种或多种或组合或串联的烷基化，包括N-烷基化或O-烷基化，醚化，酯化和酰胺化化学过程。还可以选择各种连接剂连接骨架和功能基团之间，以修改载体或中心骨架以进行偶联反应并优化共轭物的性能。
• [EN] POLYMER-CYCLODEXTRIN-LIPID CONJUGATES<br/>[FR] CONJUGUÉS POLYMÈRE-CYCLODEXTRINE-LIPIDE
  申请人：WU NIAN

  公开号：WO2016209732A1

  公开（公告）日：2016-12-29

  The invention comprises compounds, methods of making, and methods of using. A group of polymer-cyclodextrin-lipid conjugates having a center backbone and three or four appended functional groups are disclosed, wherein one of the hydrophilic components is cyclodextrin. The compounds may have a backbone with three or four appended functional groups: one or two lipophilic compounds including sterols or "fat soluble" vitamins or fatty acids, one or two hydrophilic polymer and one cyclodextrin. Specific functional groups may be selected for specific applications in formulating pharmaceuticals, cosmetics, nutriceuticals, and the like. Typical coupling reaction of the conjugates may involve one or more or combinations or in series of alkylation including N-alkylation or O-alkylation, etherification, esterification and amidation chemical processes. A variety of linkers between the center backbone and functional groups may also be selected to modify the carriers or center backbones for the coupling reactions and optimize performance of the conjugates.

  该发明涵盖了化合物、制备方法和使用方法。公开了一组具有中心骨架和三个或四个附加功能基团的聚合物-环糊精-脂质共轭物，其中一个亲水成分是环糊精。这些化合物可能具有一个带有三个或四个附加功能基团的骨架：一个或两个疏水化合物，包括甾醇或“脂溶性”维生素或脂肪酸，一个或两个亲水性聚合物和一个环糊精。特定的功能基团可以针对制备药物、化妆品、营养保健品等特定应用进行选择。共轭物的典型偶联反应可能涉及一种或多种或组合或串联的烷基化，包括N-烷基化或O-烷基化，醚化，酯化和酰胺化化学过程。还可以选择各种连接剂连接中心骨架和功能基团，以修改载体或中心骨架用于偶联反应并优化共轭物的性能。
• Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery
  申请人：Latham Keith R.

  公开号：US20180117164A1

  公开（公告）日：2018-05-03

  The present invention provides compositions and methods for the targeted delivery, release and/or formation of a drug compound at a target site(s) within the body of an individual, such as a diseased and/or inflamed tissue in the body of the individual. These compositions may comprise a halogenated phenol ring cleavably linked to a core structure of a drug compound. Due to the variety of substituents that may be utilized in forming the different types of linkages, numerous examples of drug compounds linked to a halogenated phenol ring are proposed. The present invention further provides compositions comprising halogenated phenol starting compounds that do not undergo cleavage during a dehalogenation reaction to form a drug compound in a targeted tissue when administered to an individual. Methods of administering these non-cleaving compounds are further provided.

  本发明提供了用于在个体体内的目标部位（如个体体内的患病和/或发炎组织）定向传递、释放和/或形成药物化合物的组合物和方法。这些组合物可能包括可被切断连接到药物化合物的核结构的卤代酚环。由于在形成不同类型的连接时可以利用的取代基的多样性，提出了与卤代酚环连接的药物化合物的众多示例。本发明还提供了包含卤代酚起始化合物的组合物，当向个体施用时，在靶向组织中不会在去卤反应期间发生切断以形成药物化合物。进一步提供了施用这些非切断化合物的方法。
• VANCOMYCIN DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：ACESYS PHARMATECH LTD

  公开号：US20160200768A1

  公开（公告）日：2016-07-14

  The present invention provides a vancomycin derivative, and a preparation method and an application thereof. The vancomycin derivative of the present invention is obtained by introducing a glycerate moiety between a vancomycin derivative and a liposoluble modification group and has reduced liposolubility and improved water solubility, thereby reducing a side effect in the cardiovascular aspect.

  本发明提供了一种万古霉素衍生物及其制备方法和应用。本发明的万古霉素衍生物是通过在万古霉素衍生物和脂溶性修饰基之间引入丙三酸甘油酯基而得到的，具有降低的脂溶性和改善的水溶性，从而减少心血管方面的副作用。