3-Hydroxy-4-methoxy-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-Hydroxy-4-methoxy-5-nitrobenzoic acid
• CAS No.: 80547-65-5
• Molecular Formula: C8H7NO6
• Molecular Weight: 213.147
• ChEMBL ID: CHEMBL90106
• DSSTox Substance ID: DTXSID30513193
• Wikidata: Q82372859

Synonyms:3-hydroxy-4-methoxy-5-nitrobenzoic acid;CHEMBL90106;80547-65-5;DTXSID30513193;BDBM50405322

Chemical Property of 3-Hydroxy-4-methoxy-5-nitrobenzoic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 213.02733694
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1O)C(=O)O)[N+](=O)[O-]

Technology Process of 3-Hydroxy-4-methoxy-5-nitrobenzoic acid

There total 2 articles about 3-Hydroxy-4-methoxy-5-nitrobenzoic 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:

3-acetoxy-4-methoxy-5-nitro-benzoic acid (80547-88-2) → 3-hydroxy-4-methoxy-5-nitrobenzoic acid (80547-65-5)

Guidance literature:

With alkaline solution;

DOI:10.1007/BF02906864

Reference yield:

3-acetoxy-4-methoxy-5-nitro-benzoic acid (80547-88-2) → 3-hydroxy-4-methoxy-5-nitrobenzoic acid (80547-65-5) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

DOI:10.1007/BF02906864

Reference yield:

3-hydroxy-4-methoxy-5-nitrobenzoic acid (80547-65-5) → 5-amino-3-hydroxy-4-methoxybenzoic acid (80547-66-6)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; for 1.75h; under 2068.6 Torr;

DOI:10.1021/jm00345a012

upstream raw materials:

3-acetoxy-4-methoxy-5-nitro-benzoic acid

Downstream raw materials:

methyl 3,4-dimethoxy-5-nitrobenzoate

5-amino-3-hydroxy-4-methoxybenzoic acid

5-cyano-3-hydroxy-4-methoxybenzoic acid

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