Methyl 2,4-dihydroxybenzoate

Base Information

• Chemical Name: Methyl 2,4-dihydroxybenzoate
• CAS No.: 2150-47-2
• Molecular Formula: C8H8O4
• Molecular Weight: 168.149
• Hs Code.: 29182900
• European Community (EC) Number: 218-428-3
• UNII: XE68BU3OYJ
• DSSTox Substance ID: DTXSID2022177
• Nikkaji Number: J127.960B
• Wikidata: Q27293803
• Pharos Ligand ID: YP3RXR9M2U81
• Metabolomics Workbench ID: 138466
• ChEMBL ID: CHEMBL486026
• Mol file: 2150-47-2.mol

Synonyms:METHYL 2,4-DIHYDROXYBENZOATE;2150-47-2;2,4-Dihydroxybenzoic acid methyl ester;Benzoic acid, 2,4-dihydroxy-, methyl ester;.beta.-Resorcylic acid, methyl ester;MFCD00002276;Methyl-2,4-dihydroxybenzoate;Methyl .beta.-resorcylate;XE68BU3OYJ;CHEMBL486026;methyl 2,4-bis(oxidanyl)benzoate;EINECS 218-428-3;2,4-Dihydroxy-benzoic acid methyl ester;AI3-31503;Methyl beta-resorcylate;beta-Resorcylic Acid Methyl Ester;Methyl benzoate, 2,4-dihydroxy-;ORISTAR MDHB24;UNII-XE68BU3OYJ;Methyl 4-hydroxysalicylate;methyl 2,4 dihydroxybenzoate;SCHEMBL382883;methyl 2,4-dihydroxy-benzoate;DTXSID2022177;BBL036382;BDBM50428378;CK2219;Methyl 2,4-dihydroxybenzoate, 97%;STL194098;AKOS000271195;AC-8707;CS-W010792;HY-W010076;AC-11617;DS-15488;SY015923;LS-184917;AM20050173;FT-0634072;M1796;METHYL 2,4-DIHYDROXYBENZOATE [INCI];EN300-109864;A815431;W-107547;Q27293803;Z25218921;F1982-0001;HF9

Chemical Property of Methyl 2,4-dihydroxybenzoate

Chemical Property:

• Appearance/Colour: white to beige powder
• Vapor Pressure: 1.95E-05mmHg at 25°C
• Melting Point: 118-121 °C(lit.)
• Refractive Index: 1.587
• Boiling Point: 352 °C at 760 mmHg
• PKA: 8.14±0.18(Predicted)
• Flash Point: 148.8 °C
• PSA: 66.76000
• Density: 1.354 g/cm³
• LogP: 0.88440
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in methanol.
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

98% ^*data from raw suppliers

Methylβ-Resorcylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)O)O
• Uses: Methyl 2,4-dihydroxybenzoate is used as a cosmetic agents. And it is used in synthesis of raw material for fine chemicals, organic intermediate, pharmaceutical intermediate.

Technology Process of Methyl 2,4-dihydroxybenzoate

There total 19 articles about Methyl 2,4-dihydroxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

methanol (67-56-1) + 4-hydroxysalicylic acid (89-86-1) → methyl 2,4-dihydroxybenzoate (2150-47-2)

Guidance literature:

With sulfuric acid; for 72h; Heating;

DOI:10.1246/cl.2002.14

Reference yield: 100.0%

methyl 2,4-diacetoxybenzoate (106315-78-0) → methyl 2,4-dihydroxybenzoate (2150-47-2)

Guidance literature:

With trimethyltin hydroxide; In 1,2-dichloro-ethane; at 80 ℃; for 5h;

DOI:10.1002/anie.200462207

Reference yield: 94.0%

2-hydroxy-4-(tetrahydropyran-2-yloxy)-benzoic acid methyl ester → methyl 2,4-dihydroxybenzoate (2150-47-2)

Guidance literature:

With calcium chloride; In ethanol; water; at 19.85 - 179.85 ℃; for 0.666667h; under 7575.61 Torr;

DOI:10.1016/j.tetlet.2003.09.087

upstream raw materials:

methanol

4-hydroxysalicylic acid

diazomethane

mulberrofuran M

Downstream raw materials:

5-hydroxy-4-methyl-2-oxo-2H-chromene-6-carboxylic acid methyl ester

7-hydroxy-4-methyl-2-oxo-2H-chromene-6-carboxylic acid methyl ester

2,4-dihydroxy-3-morpholin-4-ylmethyl-benzoic acid methyl ester

2-Hydroxy-4-n-butoxybenzoesaeuremethylester

Refernces

• 1、 Meisel, Joseph W.,Hu, Chunhua T.,Hamilton, Andrew D.. "Heterofunctionalized Cavitands by Macrocyclization of Sequence-Defined Foldamers". . p. 7763 - 7767. Retrieved 2019.
• 2、 -. "ISOINDOLINE DERIVATIVES WHICH BIND TO AN ATP BINDING SITE". Paragraph 00195-00196. . Retrieved 2021/07/31.
• 3、 Fallah, Akram,Mohanazadeh, Farajollah,Safavi, Maliheh. "Design, synthesis, and in vitro evaluation of novel 1,3,4-oxadiazolecarbamothioate derivatives of Rivastigmine as selective inhibitors of BuChE". . p. 341 - 355. Retrieved 2019/12/30.