Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]-

Base Information

• Chemical Name: Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]-
• CAS No.: 1618-52-6
• Molecular Formula: C17H15NO5
• Molecular Weight: 313.31
• DSSTox Substance ID: DTXSID50431527
• Nikkaji Number: J1.897.750H
• ChEMBL ID: CHEMBL65459
• Mol file: 1618-52-6.mol

Synonyms:1618-52-6;Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]-;2-(2,3-dimethyl-N-oxaloanilino)benzoic acid;CHEMBL65459;diaryloxamic acid 1;2-(1-Carboxy-N-(2,3-dimethylphenyl)formamido)benzoic acid;2-[1-CARBOXY-N-(2,3-DIMETHYLPHENYL)FORMAMIDO]BENZOIC ACID;SCHEMBL7065662;BDBM13951;DTXSID50431527;2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid;EN300-6488552;oxalyl-aryl-amino benzoic acid-based inhibitor 1;2-[(2,3-dimethylphenyl)amidoformic acid]benzoic acid;Z3216207825;2-(1-Carboxy-N-(2,3-dimethylphenyl)formamido)benzoicacid;2-[2,3-Dimethylphenyl(1,2-dioxo-2-hydroxyethyl)amino]benzoic acid

Chemical Property of Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 313.09502258
• Heavy Atom Count: 23
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O)C

Technology Process of Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]-

There total 4 articles about Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]- 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:

2-[(2,3-dimethyl-phenyl)-ethoxyoxalyl-amino]-benzoic acid → 2-[(2,3-Dimethyl-phenyl)-oxalyl-amino]-benzoic acid (1618-52-6)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 2h;

DOI:10.1021/ja0296733 DOI:10.1021/jm0205696

Reference yield:

mefenamic Acid (61-68-7) → 2-[(2,3-Dimethyl-phenyl)-oxalyl-amino]-benzoic acid (1618-52-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 16 h / 20 °C

2: 235 mg / aq. NaOH / methanol / 2 h / 20 °C

With sodium hydroxide; triethylamine; In methanol; dichloromethane;

DOI:10.1021/ja0296733

Reference yield:

Diphenyliodonium-2-carboxylate (1488-42-2,109545-72-4) → 2-[(2,3-Dimethyl-phenyl)-oxalyl-amino]-benzoic acid (1618-52-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 54 percent / Cu(OAc)2 / propan-2-ol / 23 h / Heating

2: Et₃N / CH₂Cl₂ / 16 h / 20 °C

3: 235 mg / aq. NaOH / methanol / 2 h / 20 °C

With sodium hydroxide; copper diacetate; triethylamine; In methanol; dichloromethane; isopropyl alcohol;

DOI:10.1021/ja0296733

upstream raw materials:

mefenamic Acid

Diphenyliodonium-2-carboxylate

2,3-Dimethylaniline