4-hydroxy-3-hydroxymethylbenzoic acid | 82885-62-9

• 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: 4-hydroxy-3-hydroxymethylbenzoic acid
• 英文别名: 4-hydroxy-3-hydroxymethyl-benzoic acid；4.3¹-Dioxy-3-methyl-benzol-carbonsaeure-(1)；Saligenincarbonsaeure aus p-Oxy-benzoesaeure；4-Hydroxy-3-hydroxymethyl-benzoesaeure；4.3¹-Dioxy-m-toluylsaeure；4-Hydroxy-3-(hydroxymethyl)benzoic acid
• CAS: 82885-62-9
• 化学式: C₈H₈O₄
• 分子量: 168.149
• InChiKey: QZCIFUSRAPIQJN-UHFFFAOYSA-N

物化性质

• 沸点：
  428.0±40.0 °C(Predicted)
• 密度：
  1.472±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  2
• 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：

  4-hydroxy-3-hydroxymethylbenzoic acid 生成 3-甲酰基-4-羟基苯甲酸
  参考文献：
  名称：

  STENSTROM, MICHAEL K;CARDINAL, LYNNE;LIBRA, JUDY, ENVIRON. PROGR., 8,(1989) N, C. 107-112

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲酰基-4-羟基苯甲酸 在 甲醇 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成 4-hydroxy-3-hydroxymethylbenzoic acid
  参考文献：
  名称：

  [EN] QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION
  [FR] AMPLIFICATION DU SIGNAL D'ANALOGUES DE QUINONEMÉTHIDES

  摘要：

  本文披露了一种新型的醌甲烯类似物前体，以及使用该前体的方法和套件的实施例，用于检测生物样本中的一个或多个靶标。检测方法包括将样本与检测探针接触，然后将样本与包含酶的标记共轭物接触。酶与包含可检测标记的醌甲烯类似物前体相互作用，形成具有可检测标记的反应性醌甲烯类似物，该类似物与生物样本中的靶标近距离或直接结合。然后检测可检测标记。在某些实施例中，通过多个醌甲烯类似物前体与不同酶相互作用，无需酶去活化步骤即可检测多个靶标。

  公开号：

  WO2015124703A1

文献信息

• Lignin Oxidation and Products Thereof
  申请人：Albizati Kim

  公开号：US20120107886A1

  公开（公告）日：2012-05-03

  Provided herein is a method of oxidizing lignin. Further disclosed herein are aromatic and non-aromatic compounds obtained from oxidized lignin.

  本文提供了一种氧化木质素的方法。此外，还披露了从氧化木质素中获得的芳香和非芳香化合物。
• ISOQUINOLONE COMPOUNDS AS SUBTYPE-SELECTIVE AGONISTS FOR MELATONIN RECEPTORS MT1 AND MT2
  申请人：Wong Yung Hou

  公开号：US20100317691A1

  公开（公告）日：2010-12-16

  A method of treating, preventing, or ameliorating a pathological condition associated with a melatonin receptor in a mammal by using a pharmaceutical composition containing a compound of formula (I) as a ligand interacting with the melatonin receptor, R 1 , R 2 , R 3 , R 4 and R 7 are independently H, halo, alkyloxyl, alkyl or hydroxyl, provided that one of R 1 , R 2 , R 3 and R 7 is X—(CH 2 ) n —R 8 ; R 5 is alkyl or arylalkyl; R 6 is H or alkyl; X is a bond, O, S, SO, SO 2 , CO or NH; n= 0 - 10 ; R 8 is alkenyl, substituted or unsubstituted aryl, NR 9 R 10 , or OR 9 ; R 9 is H, substituted or unsubstituted arylmethyl, or alkenyl; and R 10 is H or alkyl.

  一种通过使用含有化合物(I)作为与褪黑激素受体相互作用的配体的药物组合物来治疗、预防或改善与哺乳动物中褪黑激素受体相关的病理状况的方法，其中R1、R2、R3、R4和R7独立地为H、卤素、烷氧基、烷基或羟基，前提是R1、R2、R3和R7中的一个是X—(CH2)n—R8；R5为烷基或芳基烷基；R6为H或烷基；X为键、O、S、SO、SO2、CO或NH；n=0-10；R8为烯烃基、取代或未取代的芳基、NR9R10或OR9；R9为H、取代或未取代的芳基甲基或烯烃基；R10为H或烷基。
• ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20160244407A1

  公开（公告）日：2016-08-25

  An aryloyl(oxy or amino)pentafluorosulfanylbenzene compound having pharmacological action. The aryloyl(oxy or amino)pentafluorosulfanylbenzene compound is represented by general formula (A-I), a pharmaceutically acceptable salt thereof, and a prodrug thereof, wherein all of parameters represent the same meanings as defined in the specification.

  一种具有药理作用的芳基酰氧或氨基五氟磺基苯化合物。该芳基酰氧或氨基五氟磺基苯化合物由通用式(A-I)表示，其药用可接受的盐和前药，其中所有参数的含义与规范中定义的相同。
• Quantitative determination of forphenicinol and its metabolites in human serum and urine by gas chromatography/mass spectrometry with selected ion monitoring.
  作者：NAOTAKA UCHIYAMA、TERUKAZU TAKANO、SHIZUKO SAITO、HIROAKI MORIKAWA、MASAKATSU OHTAWA

  DOI：10.1248/cpb.34.3290

  日期：——

  A simple and sensitive method for the determination of forphenicinol (L-(3-hydroxy-4-hydroxymethylphenyl)glycine) and its metabolites (M-1-M-5) in human serum and urine has been developed by means of gas chromatography-mass spectrometry with selected ion monitoring.Forphenicinol (FPL) and M-2 (3-hydroxy-4-hydroxymethylbenzylamine) were quantified at the same time as the trimethylsilyl (TMS) derivatives. M-1 (α-(3-hydroxy-4-hydroxymethylphenyl)-α-oxoacetic acid) was methoximated, and then analyzed simultaneously with M-3 (3-hydroxy-4-hydroxymethylbenzoic acid) and M-4 (hydroxyterephthalic acid) after trimethylsilylation. On the other hand, M-5 (L-N-acetyl(3-hydroxy-4-hydroxymethylphenyl)glycine) was hydrolyzed enzymatically with acylase to convert it into FPL and determined as the TMS derivative.In serum, the calibration range for FPL was 0.02-5 μg/ml. As for urine, the calibration curves were linear in the ranges of 0.04-10 μg/ml for FPL, 0.1-10 μg/ml for M-1, M-3, M-4, and M-5, and 0.4-100 μg/ml for M-2.The metabolic fate of FPL in man was investigated after a single oral dose (50 mg) of FPL to each of five healthy volunteers. In the serum, unchanged FPL was found but no metabolites were detected. The serum FPL levels were followed and analyzed pharmacokinetically. In the urine, unchanged FPL and its five metabolites (M-1-M-5) were detected and quantified; M-2 and M-5 were the major urinary metabolites.

  通过气相色谱-质谱法，结合选定的离子监测，已经开发出一种简单而灵敏的方法，用于测定人血清和尿液中的福芬那醇（L-(3-羟基-4-羟甲基苯基)甘氨酸）及其代谢产物（M-1-M-5）。福芬那醇（FPL）和M-2（3-羟基-4-羟甲基苄胺）与三甲基硅烷（TMS）衍生物同时定量。M-1（α-(3-羟基-4-羟甲基苯基)-α-氧代乙酸）被甲氧基化，然后与M-3（3-羟基-4-羟甲基苯甲酸）和M-4（羟基对苯二甲酸）一起在三甲基硅烷化后同时分析。另一方面，M-5（L-N-乙酰基(3-羟基-4-羟甲基苯基)甘氨酸）被酰化酶水解，转化为FPL，并作为TMS衍生物测定。在血清中，FPL的校准范围为0.02-5微克/毫升。在尿液中，FPL的校准曲线在0.04-10微克/毫升范围内呈线性，M-1、M-3、M-4
• Disubstituted pyrimidines
  申请人：Hoffmann-La Roche Inc.

  公开号：US04462923A1

  公开（公告）日：1984-07-31

  Pyrimidines of the formula: ##STR1## wherein Y is nitrogen and Z is .dbd.CH--, or Z is nitrogen and Y is .dbd.CH--; R.sup.1 is alkyl and R.sup.2 is cyano, alkyl, p-alkylphenyl or trans-4-alkylcyclohexyl; where each alkyl denotes either a straight chain alkyl group of 1 to 12 carbon atoms or a branched chain alkyl group of the formula C.sub.2 H.sub.5 --CH(CH.sub.3)--(CH.sub.2).sub.n, n is 1, 2 or 3; with the proviso that the compound contains at most only one of said branched chain alkyl group and with the further proviso that the sum of the carbon atoms in all of the alkyl groups within the compound is at most 14 are described. Liquid crystalline mixtures comprising Compound I as well as their use in electro-optical devices also are disclosed.

  本发明涉及式为##STR1##的嘧啶类化合物，其中Y为氮，Z为.dbd.CH--，或Z为氮，Y为.dbd.CH--；R.sup.1为烷基，R.sup.2为氰基，烷基，对烷基苯基或反式-4-烷基环己基；其中每个烷基表示1至12个碳原子的直链烷基或式为C.sub.2 H.sub.5 --CH(CH.sub.3)--(CH.sub.2).sub.n的支链烷基，n为1、2或3；但该化合物至多只含有一个所述的支链烷基，并且所有烷基中碳原子的总和最多为14。还公开了含有化合物I的液晶混合物以及它们在电光器件中的使用。