5-Amino-2,3-dimethoxybenzoic acid

Base Information

• Chemical Name: 5-Amino-2,3-dimethoxybenzoic acid
• CAS No.: 128670-46-2
• Molecular Formula: C9H11NO4
• Molecular Weight: 197.191
• European Community (EC) Number: 875-031-3
• DSSTox Substance ID: DTXSID80567924
• Wikidata: Q82453977
• Mol file: 128670-46-2.mol

Synonyms:5-amino-2,3-dimethoxybenzoic acid;128670-46-2;Benzoic acid, 5-amino-2,3-dimethoxy-;SCHEMBL3361544;DTXSID80567924;5-amino-2,3-dimethoxybenzoicacid;AKOS005151364;G67996;EN300-1072949;Z1255381898

Chemical Property of 5-Amino-2,3-dimethoxybenzoic acid

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 197.06880783
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)C(=O)O)N

Technology Process of 5-Amino-2,3-dimethoxybenzoic acid

There total 6 articles about 5-Amino-2,3-dimethoxybenzoic 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: 70.0%

5-amino-2,3-dimethoxybenzoic acid methyl ester (70752-24-8) → 5-amino-2,3 -dimethoxybenzoic acid (128670-46-2)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 3h;

Reference yield:

2,3-dimethoxy-5-nitrobenzoic acid methyl ester (861556-24-3) → 5-amino-2,3 -dimethoxybenzoic acid (128670-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / ethanol / 12 h / 20 °C

2: sodium hydroxide / methanol / 3 h / 20 °C

With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In methanol; ethanol;

Reference yield:

methyl 2,3-dimethoxybenzoate (2150-42-7) → 5-amino-2,3 -dimethoxybenzoic acid (128670-46-2)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic anhydride; nitric acid / 1 h / 15 - 25 °C

2: palladium 10% on activated carbon; hydrogen / ethanol / 12 h / 20 °C

3: sodium hydroxide / methanol / 3 h / 20 °C

With palladium 10% on activated carbon; hydrogen; nitric acid; acetic anhydride; sodium hydroxide; In methanol; ethanol;

upstream raw materials:

2,3-dimethoxy-5-nitrobenzoic acid

2,3-dimethoxybenzyl alcohol

2,3-dimethoxy-5-nitro-benzyl alcohol

methyl 2,3-dimethoxybenzoate

Downstream raw materials:

5-hydroxy-2,3-dimethoxy-benzoic acid

2,3,5-trimethoxybenzoic acid