CAS: 877-22-5; 3-Methoxysalicylic Acid

该化合物是一种有机化合物,属于硅酸类别,其特点是苯环上存在一种氢氧基(-OH)和一种碳oxy酸(-COOH),具体来说,它具有一种甲基二氧基(-OCH3),其二是二硅酸结构的3个位置,该化合物一般是白到白外晶状固体固体,有机溶剂中可溶解,水中可略溶,反映其极分功能组. 3-甲基二氧二氧基酸展示了各种生物活动,包括反氟化物和抗氧化物特性,使其在制药和化妆品应用中具有兴趣,其结构允许与生物系统的潜在互动,影响酶活动和细胞过程.此外,它可以作为有机合成的前体,有助于更复杂的分子的发展.与许多有机化合物一样,由于潜在的毒性和环境影响,应当观察适当的处理和安全措施.

英文名称3-Methoxysalicylic Acid
中文名称3-甲氧基水杨酸
IUPAC名称2-hydroxy-3-methoxybenzoic acid
其它别名愈创木酚-3-羧酸; 3甲氧基水杨酸; O-Vanillic Acid; 3-Methoxysalicylic Acid
CAS编号877-22-5
MFCD编号:MFCD00002445
EINECS号:212-888-9
FDA UNII编号:3J31Y0E2IM
分子式:C8H8O4
分子量:168.15
产品CID: 1885772
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: AUZQQIPZESHNMG-UHFFFAOYSA-N
InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
严重眼刺激类别2A
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
UN编号NONH for all modes of transport
危险品标志Xi,Xn
安全声明26-37/39-36
危险类别码36/37/38-20/21/22
WGK Germany3.0

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

1521-38-6 = 877-22-5
反应条件:1.1 Reagents: Boron Trichloride
标题:Boron Trichloride As A Selective Demethylating Agent
作者:Dean,F. M.; Et Al
参考文献:Tetrahedron Letters 日期:1966 卷标:(35) 页码:4153-9]

586-38-9 = 877-22-5
反应条件:1.1 Reagents: Piperidine,2,2,6,6-Tetramethyl-,Lithium Salt (1:1) Solvents: Tetrahydrofuran; 0 °C; 2 H,0 °C1.2 Reagents: Oxygen; 30 Min,0 °C; 2 H,40 - 65 °C
标题:First General,Direct,And Regioselective Synthesis Of Substituted Methoxybenzoic Acids By Ortho Metalation
作者:Nguyen,Thi-Huu; Et Al
参考文献:Journal Of Organic Chemistry 日期:2007 卷标:72(9) 页码:3419-3429]

586-38-9 = 877-22-5
反应条件:1.1 Reagents: Butyllithium,2,2,6,6-Tetramethylpiperidine,Oxygen Solvents: Tetrahydrofuran,Hexane1.2 Solvents: Water
标题:Reactions Of Regioselective Metalation Of Unprotected Alkoxybenzoic Acids. Scopes,Limitations And Mechanism
作者:Nguyen,Thi Huu
参考文献:2006]

41799-27-3 = 877-22-5
反应条件:1.1 Reagents: Disodium Phosphate,Monopotassium Phosphate,Oxygen,Ammonium Sulfate,Magnesium Chloride,Calcium Nitrate Solvents: Water; 28 °C; Ph 2.0
标题:Metabolism Of Hydroxydibenzofurans,Methoxydibenzofurans,Acetoxydibenzofurans,And Nitrodibenzofurans By Sphingomonas Sp. Strain Hh69
作者:Harms,Hauke; Et Al
参考文献:Applied And Environmental Microbiology 日期:1995 卷标:61(7) 页码:2499-505]

19261-06-4 = 877-22-5
反应条件:1.1 -2.1 Reagents: Disodium Phosphate,Monopotassium Phosphate,Oxygen,Ammonium Sulfate,Magnesium Chloride,Calcium Nitrate Solvents: Water; 28 °C; Ph 2.0
标题:Metabolism Of Hydroxydibenzofurans,Methoxydibenzofurans,Acetoxydibenzofurans,And Nitrodibenzofurans By Sphingomonas Sp. Strain Hh69
作者:Harms,Hauke; Et Al
参考文献:Applied And Environmental Microbiology 日期:1995 卷标:61(7) 页码:2499-505]

90-05-1 = 877-22-5 + 2169-28-0
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran1.2 -
标题:Dianion Metalation Reactions Of N,N-Dimethylvanillylamine And N,N-Dimethylisovanillylamine
作者:Hlasta,Dennis J.; Et Al
参考文献:Tetrahedron Letters 日期:1985 卷标:26(18) 页码:2151-4]

57543-87-0 = 877-22-5 + 65-85-0 + 88252-61-3
反应条件:1.1 Reagents: Potassium Superoxide Solvents: Dimethyl Sulfoxide
标题:Reaction Of Potassium Superoxide With 3-Nitro-2-Phenyl-2H-1-Benzopyrans And Their Dihydro Derivatives
作者:Rao,Takkellapati Sudhakar; Et Al
参考文献:Heterocycles 日期:1987 卷标:26(8) 页码:2117-24]

148-53-8 = 877-22-5
反应条件:1.1 Reagents: Potassium Hydroxide,Oxygen,Sodium Borohydride Catalysts: Palladium Solvents: Methanol,Water; 48 H,Rt; Rt; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Rt
标题:Environmentally Benign Oxidation Reaction Of Aldehydes To Their Corresponding Carboxylic Acids Using Pd/c With Nabh4 And Koh
作者:Lim,Minkyung; Et Al
参考文献:Tetrahedron Letters 日期:2007 卷标:48(22) 页码:3835-3839]

148-53-8 = 877-22-5
反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Water; 20 Min,Rt; 1 H,155 - 160 °C
标题:Facile Synthesis,Isolation And Characterization Of 1-(4-Hydroxy-3-Methoxyphenyl)Ethanone (Acetovanillone) And Its Isomeric Related Substances As Key Starting Materials For An Antipsychotic Drug: Iloperidone
作者:Boodida,S.; Et Al
参考文献:Asian Journal Of Chemistry 日期:2022 卷标:34(5) 页码:1245-1254]

1521-38-6 = 877-22-5
反应条件:1.1 Reagents: Piperazine Solvents: Dimethylacetamide1.2 Reagents: Hydrochloric Acid Solvents: Water
标题:Regioselective Dealkylation Of 2-Alkoxybenzoic Acid And Its Amide Derivatives With Aliphatic Amines
作者:Nishioka,Hiroyasu; Et Al
参考文献:Synthesis 日期:2000 卷标:(2) 页码:243-246]

4383-05-5 = 877-22-5
反应条件:1.1 Reagents: Potassium Hydroxide,Oxygen,Sodium Borohydride Catalysts: Palladium Solvents: Methanol,Water; 2 - 36 H,Rt
标题:Pd/c And Nabh4 In Basic Aqueous Alcohol: An Efficient System For An Environmentally Benign Oxidation Of Alcohols
作者:An,Gwangil; Et Al
参考文献:Synthesis 日期:2010 卷标:(3) 页码:477-485]

126431-96-7 = 877-22-5 [标题:Reaction Conditions
标题:Secoiridoids And A Phenolic Glucoside From Gentiana Pyrenaica
作者:Garcia,Julian; Et Al
参考文献:Journal Of Natural Products 日期:1989 卷标:52(5) 页码:996-1002]

101762-27-0 = 877-22-5
反应条件:1.1 Reagents: Disodium Phosphate,Monopotassium Phosphate,Oxygen,Ammonium Sulfate,Magnesium Chloride,Calcium Nitrate Solvents: Water; 28 °C; Ph 2.02.1 -3.1 Reagents: Disodium Phosphate,Monopotassium Phosphate,Oxygen,Ammonium Sulfate,Magnesium Chloride,Calcium Nitrate Solvents: Water; 28 °C; Ph 2.0
标题:Metabolism Of Hydroxydibenzofurans,Methoxydibenzofurans,Acetoxydibenzofurans,And Nitrodibenzofurans By Sphingomonas Sp. Strain Hh69
作者:Harms,Hauke; Et Al
参考文献:Applied And Environmental Microbiology 日期:1995 卷标:61(7) 页码:2499-505]

132-64-9 = 877-22-5
反应条件:1.1 -2.1 -3.1 Reagents: Disodium Phosphate,Monopotassium Phosphate,Oxygen,Ammonium Sulfate,Magnesium Chloride,Calcium Nitrate Solvents: Water; 28 °C; Ph 2.0
标题:Metabolism Of Hydroxydibenzofurans,Methoxydibenzofurans,Acetoxydibenzofurans,And Nitrodibenzofurans By Sphingomonas Sp. Strain Hh69
作者:Harms,Hauke; Et Al
参考文献:Applied And Environmental Microbiology 日期:1995 卷标:61(7) 页码:2499-505]

57544-05-5 = 877-22-5 + 100-09-4 + 91735-21-6
反应条件:1.1 Reagents: Potassium Superoxide Solvents: Dimethyl Sulfoxide
标题:Reaction Of Potassium Superoxide With 3-Nitro-2-Phenyl-2H-1-Benzopyrans And Their Dihydro Derivatives
作者:Rao,Takkellapati Sudhakar; Et Al
参考文献:Heterocycles 日期:1987 卷标:26(8) 页码:2117-24

2-甲酰基-6-甲氧基-3-硝基苯基苯磺酸盐置于sodium Hydroxide,Permanganate(Vii) Ion,Magnesium Sulfate体系中,化学反应生成 3-甲氧基水杨酸
参考文献:Rupp; Linck,Archiv Der Pharmazie,1915,Vol. 253,P. 40
标题:Rupp; Linck,Archiv Der Pharmazie,1915,Vol. 253,P. 40

海关参考信息

2905110000-甲醇
2906210000-苄醇
2907210001-间苯二酚
2912110000-甲醛
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-6180830-B1
优先权日:1995-11-08
标题 :Method for preparing a bimetallic ruthenium/tin catalyst and a process for the synthesis of aldehydes
发明人：JACQUOT ROLAND
权利人:RHODIA CHIMIE SA
摘要:The present invention relates to a new process for the preparation of a bimetallic ruthenium/tin catalyst. The process for the preparation of a bimetallic ruthenium/tin catalyst according to the invention is characterised by the fact that it consists in carrying out the reduction of a ruthenium complex having an electrovalency of -4 and a coordination number of 6, the ligands being either a halogen atom or an anion or a tin halide. The catalyst is further employed for the preparation of aldehydes by reduction, in the vapor phase, of carboxylic acids, esters and anhydrides.

专利号:US-2004110228-A1
优先权日:2002-04-01
标题:Combinatorial organic synthesis of unique biologically active compounds
发明人：MCALPINE SHELLI R; TAYLOR RACHEL E; BOLLA MEGAN L; SEGALL ANCA M
摘要:The invention provides a method for making a combinatorial library of cyclic compounds, such as Holliday junction-trapping compounds, comprising the steps of (a) obtaining a plurality of trimers according to the generic structure X 1- X 2- X 3 , wherein X 1 , X 2 and X 3 can be independently any naturally or nonnaturally occurring amino acids or peptidomimetics thereof; (b) optionally coupling a spacer S to the trimer at either end; (c) cyclizing two trimers or trimer-spacer conjugates in a head-to-tail orientation; thereby obtaining a combinatorial library of compounds, wherein the library does not include an unmodifed or naturally occurring Holliday Junction-trapping compounds. The invention additionally provides methods macrocyclic compounds that are synergimycin derivatives.

专利号:US-9453037-B2
优先权日:2011-07-28
标题 :Methylphenidate-prodrugs, processes of making and using the same
发明人：GUENTHER SVEN; CHI GUOCHEN; BERA BINDU; MICKLE TRAVIS; BERA SANJIB
权利人:KEMPHARM INC; KEMPHARM INC
摘要:The present technology is directed to prodrugs and compositions for the treatment of various diseases and/or disorders comprising methylphenidate, or methylphenidate derivatives, conjugated to at least one alcohol, amine, oxoacid, thiol, or derivatives thereof. In some embodiments, the conjugates further include at least one linker. The present technology also relates to the synthesis of methylphenidate, or methylphenidate derivatives, conjugated to at least one alcohol, amine, oxoacid, thiol, or derivatives thereof or combinations thereof.

专利号:US-2025179033-A1
优先权日:2021-12-30
标题 :New antiviral triazole derivatives, their synthesis and their use for treatment of mammalian viral infections
发明人：MAKAROV VADIM; RIABOVA OLGA; LANE THOMAS R; EKINS SEAN
权利人:COLLABORATIONS PHARMACEUTICALS INC; FEDERAL RES CENTER FUNDAMENTALS OF BIOTECHNOLOGY RUSSIAN ACADEMY OF SCIENCE
摘要:A family of triazole derivatives is described. Also described is the use of these triazole derivatives in treating or preventing viral infections, such as human immunodeficiency virus (HIV) infections, and the diseases caused by these infections, such as acquired immunodeficiency syndrome (AIDS). The triazole derivatives, for example, comprise a central triazole group with two substituents comprising an aryl or heteroaryl group. Exemplary derivatives showed excellent HIV inhibitory activity against both wild-type and selected mutant strains of HIV.

专利号:US-8428884-B1
优先权日:2003-07-14
标题:Protein synthesis modulators
发明人：WIMBERLY BRIAN T
权利人:WIMBERLY BRIAN T; RIB X PHARMACEUTICALS INC
摘要:The invention provides a high resolution three-dimensional structure of a deacylated transfer RNA protein synthesis modulator in association with a large ribosomal subunit. The protein synthesis modulator binds at least a portion of the E-site of a large ribosomal subunit. The invention provides methods for designing and/or identifying analogs of candidate molecules, for example, analogs or derivatives of the protein synthesis modulator, that bind and/or modulate the protein biosynthetic activity of the ribosome.

专利号:US-8912150-B2
优先权日:2001-08-03
标题:Ribosome structure and protein synthesis inhibitors
发明人：STEITZ THOMAS A; MOORE PETER B; SUTCLIFFE JOYCE A; OYELERE ADEGBOYEGA K; IPPOLITO JOSEPH A
权利人:RIB X PHARMACEUTICALS INC; UNIV YALE; MELINTA THERAPEUTICS INC
摘要:The invention provides methods for producing high resolution crystals of ribosomes and ribosomal subunits as well as crystals produced by such methods. The invention also provides high resolution structures of ribosomal subunits either alone or in combination with protein synthesis inhibitors. The invention provides methods for identifying ribosome-related ligands and methods for designing ligands with specific ribosome-binding properties as well as ligands that may act as protein synthesis inhibitors. Thus, the methods and compositions of the invention may be used to produce ligands that are designed to specifically kill or inhibit the growth of any target organism.

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主要参考文献

[参考文献]: Wojciech Ostrowski, Et Al. Mass Spectrometric Behavior Of Phenolic Acids Standards And Their Analysis In The Plant Samples With Lc/esi/ms System. J Chromatogr B Analyt Technol Biomed Life Sci. 2014 Sep 15:967:21-7.

合成参考文献

摘要:Comptes Rendus Hebdomadaires des Seances, Academie des Sciences., 243(609), 1956
参考文献:10.1007/s00216-021-03485-3
摘要:Yu H, Zhang G, Cai Y, Dong F. Altering the substituents of salicylic acid to improve Berthelot reaction for ultrasensitive colorimetric detection of ammonium and atmospheric ammonia. Analytical and Bioanalytical Chemistry. 2021 Jul 31;413(23):5695–702. doi: 10.1007/s00216-021-03485-3.

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