2-[(4-Methylphenyl)amino]benzoic acid

Base Information

• Chemical Name: 2-[(4-Methylphenyl)amino]benzoic acid
• CAS No.: 16524-23-5
• Molecular Formula: C14H13 N O2
• Molecular Weight: 227.263
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10167870
• Nikkaji Number: J55.263A
• Wikidata: Q83037365
• Pharos Ligand ID: 97KN4T8YQKLZ
• ChEMBL ID: CHEMBL2043304
• Mol file: 16524-23-5.mol

Synonyms:4-MDPACA;4-methyldiphenylamine-2'-carboxylic acid

Chemical Property of 2-[(4-Methylphenyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 3.6E-07mmHg at 25°C
• Melting Point: 196°C
• Refractive Index: 1.5780 (estimate)
• Boiling Point: 401.6°Cat760mmHg
• PKA: 3.71±0.36(Predicted)
• Flash Point: 196.7°C
• PSA: 49.33000
• Density: 1.233g/cm³
• LogP: 3.50980
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

2-[(4-Methylphenyl)amino]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O

Technology Process of 2-[(4-Methylphenyl)amino]benzoic acid

There total 19 articles about 2-[(4-Methylphenyl)amino]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: 98.0%

p-toluidine (106-49-0,12221-03-3) + ortho-chlorobenzoic acid (118-91-2) → N-p-tolyl-anthranilic acid (16524-23-5)

Guidance literature:

With copper; potassium carbonate; for 5h; Heating;

DOI:10.1080/00397919308011235

Reference yield: 94.0%

2-Iodobenzoic acid (88-67-5) + p-toluidine (106-49-0,12221-03-3) → N-p-tolyl-anthranilic acid (16524-23-5)

Guidance literature:

With sodium acetate; copper (I) acetate; In water; for 1h; Heating;

Reference yield: 91.0%

p-toluidine (106-49-0,12221-03-3) + 2-bromobenzoic-acid (88-65-3) → N-p-tolyl-anthranilic acid (16524-23-5)

Guidance literature:

With potassium carbonate; CuPy₂Cl₂; at 75 ℃; for 0.333333h; microwave irradiation;

DOI:10.3184/030823407X255597

upstream raw materials:

5-amino-2-p-toluidino-benzoic acid

potassium 2-chlorobenzoate

p-toluidine

ortho-chlorobenzoic acid

Downstream raw materials:

10-p-tolyl-1,3,4,10-tetrahydro-2H-acridin-9-one

2-methylacridine

N-(p-tolyl)anthranilic acid p-toluenesulfonylhydrazide

N-(p-tolyl)anthranilic acid hydrazide