5-Amino-2-methoxybenzoic Acid

Base Information

• Chemical Name: 5-Amino-2-methoxybenzoic Acid
• CAS No.: 3403-47-2
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Hs Code.: 2922509090
• European Community (EC) Number: 625-409-7
• UNII: JIZ12WU1YS
• DSSTox Substance ID: DTXSID10543534
• Nikkaji Number: J2.989.429I
• Wikidata: Q82420444
• Mol file: 3403-47-2.mol

Synonyms:5-Amino-2-methoxybenzoic Acid;3403-47-2;5-AMINO-2-METHOXY-BENZOIC ACID;5-Amino-o-anisic acid;JIZ12WU1YS;o-Anisic acid, 5-amino-;3-Carboxy-4-methoxyaniline;Benzoic acid, 5-amino-2-methoxy-;UNII-JIZ12WU1YS;methyl-5-aminosalicylic acid;SCHEMBL98371;5-Amino-2-methoxybenzoicAcid;DTXSID10543534;MFCD09260887;5-Amino-2-methoxybenzoic acid, 97%;AKOS000113280;AB50010;AS-59867;CS-0168181;EN300-245152;A875119

Chemical Property of 5-Amino-2-methoxybenzoic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 165 °C
• Refractive Index: 1.604
• Boiling Point: 369.903 °C at 760 mmHg
• PKA: 3.23±0.10(Predicted)
• Flash Point: 177.511 °C
• PSA: 72.55000
• Density: 1.303 g/cm³
• LogP: 1.55680
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98% ^*data from raw suppliers

5-Amino-2-methoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Amino-2-methoxybenzoic Acid

There total 7 articles about 5-Amino-2-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: 100.0%

2-methoxy-5-nitrobenzoic acid (40751-89-1) → 3-amino-6-methoxy-benzoic acid (3403-47-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃;

Reference yield:

5-nitrosalicylic acid (96-97-9) → 3-amino-6-methoxy-benzoic acid (3403-47-2)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / dimethyl sulfoxide / 60 °C

2: lithium hydroxide; water / methanol; acetonitrile / 3 h / 20 °C

3: hydrogen; palladium 10% on activated carbon / methanol / 20 °C

With palladium 10% on activated carbon; water; hydrogen; potassium carbonate; lithium hydroxide; In methanol; dimethyl sulfoxide; acetonitrile;

Reference yield:

methyl 2-methoxy-5-nitrobenzoate (34841-11-7) → 3-amino-6-methoxy-benzoic acid (3403-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide; water / methanol; acetonitrile / 3 h / 20 °C

2: hydrogen; palladium 10% on activated carbon / methanol / 20 °C

With palladium 10% on activated carbon; water; hydrogen; lithium hydroxide; In methanol; acetonitrile;

upstream raw materials:

2-methoxy-5-nitrobenzoic acid

2-Methoxybenzoic acid

3-amino-2-methoxy-5-nitro-benzoic acid

5-nitrosalicylic acid

Downstream raw materials:

ethyl 1-(3-hydroxymethyl-4-methoxyphenyl)-3-methyl-1H-pyrazole-5-carboxylate

1-(3-azidomethyl-4-methoxyphenyl)-3-methyl-1H-pyrazole-5-carboxylic acid

ethyl 1-(3-carboxy-4-methoxyphenyl)-3-methyl-1H-pyrazole-5-carboxylate

2-(3-azidomethyl-4-methoxy-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl ester