2,3-Dihydroxy-4-methylbenzoic acid

Base Information

• Chemical Name: 2,3-Dihydroxy-4-methylbenzoic acid
• CAS No.: 3929-89-3
• Molecular Formula: C8H8O4
• Molecular Weight: 168.149
• European Community (EC) Number: 838-192-0
• UNII: 6R23QDE5VJ
• DSSTox Substance ID: DTXSID80192533
• Nikkaji Number: J1.553.692F
• Wikidata: Q83065215
• Mol file: 3929-89-3.mol

Synonyms:2,3-DIHYDROXY-4-METHYLBENZOIC ACID;3929-89-3;o-Pyrocatechuic acid, 4-methyl-;4-Methyl-o-pyrocatechuic acid;6R23QDE5VJ;UNII-6R23QDE5VJ;2,3-dihydroxy-p-toluic acid;SCHEMBL857301;DTXSID80192533;AKOS008119637;Benzoic acid, 2,3-dihydroxy-4-methyl-;2,3-DIHYDROXY-4-METHYLBENZOICACID;CS-0248480;FT-0752244;EN300-39965;Z367679376

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

Chemical Property:

• Vapor Pressure: 3.85E-06mmHg at 25°C
• Boiling Point: 370.4°Cat760mmHg
• Flash Point: 192°C
• Density: 1.46g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C(=O)O)O)O

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

There total 5 articles about 2,3-Dihydroxy-4-methylbenzoic 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:

potassium hydrogencarbonate (298-14-6) + 3-methylbenzene-1,2-diol (488-17-5) → 2,3-dihydroxy-4-methylbenzoic acid (3929-89-3)

Guidance literature:

With 2,6-dihydroxybenzoatedecarboxylase fromRhizobium sp; In aq. phosphate buffer; at 30 ℃; for 24h; regioselective reaction; Enzymatic reaction;

DOI:10.1039/c3ra47719c

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 3-methylbenzene-1,2-diol (488-17-5) → 2,3-dihydroxy-4-methylbenzoic acid (3929-89-3) + 4,5-dihydroxy-6-methyl-isophthalic acid

Guidance literature:

With potassium carbonate; at 150 - 175 ℃; under 29420.3 - 36775.4 Torr;

DOI:10.1007/BF00899352

Reference yield:

methyl 2,3-dimethoxy-4-methylbenzoate (1393905-59-3) → 2,3-dihydroxy-4-methylbenzoic acid (3929-89-3)

Guidance literature:

With trimethylsilyl iodide; In dichloromethane; for 23h; Reflux;

DOI:10.1039/c2ob26035b

upstream raw materials:

carbon dioxide

3-methylbenzene-1,2-diol

methyl 2,3-dimethoxy-4-methylbenzoate

methyl 2,3-dimethoxy-4-bromomethylbenzoate

Downstream raw materials:

2,3-dimethoxy-4-methylbenzoic acid

2-hydroxy-3-methoxy-4-methylbenzoic acid

3,6-Dimethylcatechol

2,3-Dihydroxy-4-methyl-benzylalkohol