2-(2,6-Dimethylanilino)benzoic acid

Base Information

• Chemical Name: 2-(2,6-Dimethylanilino)benzoic acid
• CAS No.: 18201-61-1
• Molecular Formula: C15H15 N O2
• Molecular Weight: 241.29
• Hs Code.: 2922499990
• ChEMBL ID: CHEMBL280425
• DSSTox Substance ID: DTXSID00413590
• Nikkaji Number: J548.713G
• Wikidata: Q82221823
• Mol file: 18201-61-1.mol

Synonyms:18201-61-1;2-(2,6-dimethylanilino)benzoic acid;2-((2,6-Dimethylphenyl)amino)benzoic acid;Benzoic acid, 2-[(2,6-dimethylphenyl)amino]-;2-(2,6-Dimethyl-phenylamino)-benzoic acid;2-(2,6-dimethylphenylamino)benzoic acid;2-[(2,6-dimethylphenyl)amino]benzoic Acid;CHEMBL280425;SCHEMBL7851667;DTXSID00413590;ZKYWDEUSHBRHBI-UHFFFAOYSA-N;AKOS000282480;SB81172;AS-76070;2-((2,6-Dimethylphenyl)amino)benzoicacid;D95660

Chemical Property of 2-(2,6-Dimethylanilino)benzoic acid

Chemical Property:

• Vapor Pressure: 8.88E-07mmHg at 25°C
• Refractive Index: 1.639
• Boiling Point: 389.9°Cat760mmHg
• Flash Point: 189.6°C
• PSA: 49.33000
• Density: 1.203g/cm³
• LogP: 3.81820
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

98.5% ^*data from raw suppliers

2-((2,6-Dimethylphenyl)amino)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,6-Dimethylanilino)benzoic acid

There total 7 articles about 2-(2,6-Dimethylanilino)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: 68.0%

2,6-dimethylaniline (87-62-7) + 2-bromobenzoic-acid (88-65-3) → N-(2,6-dimethylphenyl)anthranilic acid (18201-61-1)

Guidance literature:

With potassium carbonate; copper(I) oxide; copper; In 2-ethoxy-ethanol; at 130 ℃; for 24h;

DOI:10.1021/jo060034a

Reference yield: 65.0%

2,6-dimethylaniline (87-62-7) + ortho-chlorobenzoic acid (118-91-2) → N-(2,6-dimethylphenyl)anthranilic acid (18201-61-1)

Guidance literature:

With copper(I) oxide; copper; potassium carbonate; In 2-ethoxy-ethanol; at 130 ℃; for 24h;

DOI:10.1021/jo0518809

Reference yield: 56.0%

Diphenyliodonium-2-carboxylate (1488-42-2,109545-72-4) + 2,6-dimethylaniline (87-62-7) → N-(2,6-dimethylphenyl)anthranilic acid (18201-61-1)

Guidance literature:

With copper diacetate; In isopropyl alcohol; for 6h; Heating;

DOI:10.1021/jm00061a019

upstream raw materials:

potassium 2-chlorobenzoate

2,6-dimethylaniline

Diphenyliodonium-2-carboxylate

potassium o-bromobenzoate

Downstream raw materials:

1,2:3,4-diμ2-[(2,6-dimethylphenyl)amino]benzoato-O,O-1,3-bis-2-[(2,6-dimethylphenyl)amino]benzoato-O-1,2,4:2,3,4-di-μ3-oxo-tetrakis[di-butyltin(IV)]

bis-2-[(2,6-dimethylphenyl)amino]benzoato-di-n-butyltin(IV)

2-((2,6-dimethylphenyl)amino)benzonitrile

N'-benzoyl-N,N'-bis(2,6-dimethylphenyl)anthranilamide

Refernces

• 1、 Dokorou, Vaso,Kovala-Demertzi, Dimitra,Jasinski, Jerry P.,Galani, Angeliki,Demertzis, Mavroudis A.. "Synthesis, spectroscopic studies, and crystal structures of phenylorganotin derivatives with [bis(2,6-dimethylphenyl)amino]benzoic acid: Novel antituberculosis agents". . p. 1940 - 1950. Retrieved 2004.
• 2、 Li, Zhenghua,Chen, Gang,Qiao, Shu,Liang, Ronghui,Lan, Cong,Xia, Zhining. "Design and synthesis of some new N-phenylanthranilic acids from highly sterically hindered anilines". . p. 1270 - 1279. Retrieved 2013/04/10.