2-Amino-6-(methoxycarbonyl)benzoic acid

Base Information

• Chemical Name: 2-Amino-6-(methoxycarbonyl)benzoic acid
• CAS No.: 103259-06-9
• Molecular Formula: C9H9 N O4
• Molecular Weight: 195.175
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID80546037
• Nikkaji Number: J1.376.955I
• Wikidata: Q82423735
• Mol file: 103259-06-9.mol

Synonyms:2-Amino-6-(methoxycarbonyl)benzoic acid;103259-06-9;2-amino-6-methoxycarbonylbenzoic acid;2-Amino-6-methoxycarbonyl benzoic acid;SCHEMBL2993964;DTXSID80546037;QTTPQSUTBSWBFL-UHFFFAOYSA-N;AKOS006291521;2-Amino-6-(methoxycarbonyl)benzoicacid;2-Amino-6-(methoxycarbonyl) benzoic acid;2-AMINO-6-METHOXYCARBONYLBENZOICACID;CS-0370469

Chemical Property of 2-Amino-6-(methoxycarbonyl)benzoic acid

Chemical Property:

• Boiling Point: 394.8±32.0 °C(Predicted)
• PKA: 4.06±0.10(Predicted)
• PSA: 89.62000
• Density: 1.373±0.06 g/cm3(Predicted)
• LogP: 1.33480
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-6-(methoxycarbonyl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)N)C(=O)O

Technology Process of 2-Amino-6-(methoxycarbonyl)benzoic acid

There total 4 articles about 2-Amino-6-(methoxycarbonyl)benzoic 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: 92.0%

methyl 2-carboxy-3-nitrobenzoate (21606-04-2) → 2-(methoxycarbonyl)-6-aminobenzoic acid (103259-06-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 8h; under 2068.6 Torr; Ambient temperature;

DOI:10.1021/jo00367a011

Reference yield:

methanol (67-56-1) + 3-aminophthalic acid (5434-20-8,857040-74-5) → 2-(methoxycarbonyl)-6-aminobenzoic acid (103259-06-9)

Guidance literature:

With hydrogenchloride; at 20 - 60 ℃; for 17h;

Reference yield:

methanol (67-56-1) + 3-nitrophthalic acid anhydride (641-70-3) → 2-(methoxycarbonyl)-6-aminobenzoic acid (103259-06-9)

Guidance literature:

With graphite phase carbon nitride supported cuprous catalyst (g-C₃N₄/Cu₂O); at 20 ℃; for 12h;

upstream raw materials:

methyl 2-carboxy-3-nitrobenzoate

3-nitrophthalic acid

methanol

3-aminophthalic acid

Downstream raw materials:

2-benzyl-8-carbomethoxy-1-naphthol

2-benzyl-5-carbomethoxy-1-naphthol

methyl 2-carboxy-3-<<2-(4-carboxymethyl)imidazolyl>azo>benzoate

meta-aminobenzoic acid