2,3-Dihydroxy-4-methoxybenzoic acid

Base Information

• Chemical Name: 2,3-Dihydroxy-4-methoxybenzoic acid
• CAS No.: 3934-81-4
• Molecular Formula: C8H8 O5
• Molecular Weight: 184.149
• Hs Code.: 2918990090
• European Community (EC) Number: 223-511-2
• NSC Number: 156949
• UNII: 3630629597
• DSSTox Substance ID: DTXSID50192560
• Nikkaji Number: J217.772B
• Wikidata: Q27231271
• Mol file: 3934-81-4.mol

Synonyms:2,3-Dihydroxy-4-methoxybenzoic acid;3934-81-4;2,3-Dihydroxy-p-anisic acid;EINECS 223-511-2;4-Methoxy-2,3-dihydroxybenzoic acid;NSC-156949;UNII-3630629597;NSC156949;2,3-DIHYDROXY-4-METHOXY BENZOIC ACID;SCHEMBL3189109;DTXSID50192560;4-Methoxy-2,3-dihydroxybenzoicacid;HY-N9311;MFCD00016499;NSC 156949;Benzoic acid, 2,3-dihydroxy-4-methoxy-;O-PYROCATECHUIC ACID, 4-METHOXY-;CS-0159219;FT-0635064;F81768;A824522;Q27231271

Chemical Property of 2,3-Dihydroxy-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 2.83E-06mmHg at 25°C
• Melting Point: 207-208°C
• Boiling Point: 374.6°Cat760mmHg
• PKA: 3.19±0.13(Predicted)
• Flash Point: 157.2°C
• PSA: 86.99000
• Density: 1.499g/cm³
• LogP: 0.80460
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 184.03717335
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dihydroxy-4-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C(=O)O)O)O

Technology Process of 2,3-Dihydroxy-4-methoxybenzoic acid

There total 6 articles about 2,3-Dihydroxy-4-methoxybenzoic acid 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: 83.0%

2,3,4-Trimethoxy-benzoic acid (573-11-5) → 2,3-dihydroxy-4-methoxybenzoic acid (3934-81-4)

Guidance literature:

With boron trichloride; In dichloromethane; at 0 - 20 ℃; for 11h; Inert atmosphere;

DOI:10.1021/op100291g

Reference yield: 75.0%

carbon dioxide (124-38-9,18923-20-1) + 3-methocycatechol (934-00-9) → 2,3-dihydroxy-4-methoxybenzoic acid (3934-81-4)

Guidance literature:

3-methocycatechol; With sodium hydride; In mineral oil; at 100 ℃; for 0.0833333h;

carbon dioxide; at 160 - 190 ℃; for 2h; under 45603.1 - 60804.1 Torr;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,3,4-trihydroxybenzoic acid methyl ester (56128-66-6) → 2,3-dihydroxy-4-methoxybenzoic acid (3934-81-4) + 2-hydroxy-3,4-dimethoxybenzoic acid (5653-46-3)

Guidance literature:

man verseift das Reaktionsprodukt;

upstream raw materials:

diazomethane

diethyl ether

2,3,4-trihydroxybenzoic acid methyl ester

2-hydroxy-3,4-dimethoxybenzoic acid

Downstream raw materials:

3-methocycatechol

2,3-dihydroxy-4-methoxybenzoic acid methyl ester

2-(2-chlorophenyl)-1-(7-methoxy-2',3',5',6'-tetrahydrospiro[1,3-benzodioxole-2,4'-(4H)-thiopyran]-4-yl)ethanone