2-(Benzoylamino)benzoic acid

Base Information

• Chemical Name: 2-(Benzoylamino)benzoic acid
• CAS No.: 579-93-1
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.246
• Hs Code.: 2924299090
• European Community (EC) Number: 611-604-4
• NSC Number: 3866
• UNII: 6085493379
• DSSTox Substance ID: DTXSID40206620
• Nikkaji Number: J95.762C
• Wikidata: Q27121845
• Metabolomics Workbench ID: 45310
• ChEMBL ID: CHEMBL198666
• Mol file: 579-93-1.mol

Synonyms:2-(Benzoylamino)benzoic acid;579-93-1;2-benzamidobenzoic acid;dianthramid B;N-Benzoylanthranilic acid;Benzoic acid, 2-(benzoylamino)-;2-Benzoylamino-benzoic acid;2'-Carboxybenzanilide;Benzoylanthranilic acid;benzoyl anthranilic acid;Anthranilic acid, N-benzoyl-;N-(2-Carboxyphenyl)benzamide;N-BENZOYLANTHRANILICACID;MLS000067165;2-(Benzoylamino)-Benzoic Acid;CHEBI:50037;NSC-3866;2-[(phenylcarbonyl)amino]benzoic acid;UNII-6085493379;SMR000124671;DIANTHRAMIDE B;o-benzamidobenzoic acid;2-benzamido-benzoic acid;2-Benzoylaminobenzoic acid;ChemDiv2_000185;Cambridge id 5137113;Oprea1_215602;Oprea1_745245;CBDivE_013145;cid_68482;SCHEMBL414754;CHEMBL198666;FEMA NO. 4078;SCHEMBL11409316;BDBM40663;DTXSID40206620;NSC3866;2-(BENZAMIDO)BENZOIC ACID;HMS1369I09;HMS2502I11;NSC 3866;BBL013415;MFCD00444173;STK362118;AKOS000117746;CS-W021424;FS-3206;N-BENZOYLANTHRANILIC ACID [FHFI];NCGC00245456-01;AM20061050;FT-0683768;EN300-07527;C03141;AB00450592-08;A869548;SR-01000389179;SR-01000389179-1;Q27121845;Z57128272

Chemical Property of 2-(Benzoylamino)benzoic acid

Chemical Property:

• Vapor Pressure: 3.01E-05mmHg at 25°C
• Melting Point: 178 °C
• Boiling Point: 341.9°Cat760mmHg
• PKA: 3.48±0.36(Predicted)
• Flash Point: 160.6°C
• PSA: 66.40000
• Density: 1.334g/cm³
• LogP: 2.71010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

98%min ^*data from raw suppliers

2-(Benzoylamino)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Benzoylamino)benzoic acid

There total 107 articles about 2-(Benzoylamino)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: 100.0%

benzoyl chloride (98-88-4) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-(Benzoylamino)benzoic Acid (579-93-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield: 99.0%

methyl 2-(benzamido)benzoate (7510-49-8) → 2-(Benzoylamino)benzoic Acid (579-93-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2021.116521

Reference yield: 96.0%

2-phenyl-4H-3,1-benzoxazin-4-one (1022-46-4) → 2-(Benzoylamino)benzoic Acid (579-93-1)

Guidance literature:

With [RhCl₂(p-cymene)]2; trifluoroacetic acid; trifluoroacetic anhydride; Reagent/catalyst; Reflux;

DOI:10.1039/c9ob00642g

upstream raw materials:

2-Benzoylbenzoic acid

2-Phenylquinoline

3-phenylquinoline

methyl o-benzoylbenzoate

Downstream raw materials:

2-phenyl-4H-3,1-benzoxazin-4-one

anthranilic acid

2-phenyl-4(3H)-quinazolinone

(Di-N-Benzoylanthranyloxyiod)benzol

Refernces

• 1、 Aksenov, Alexander V.,Aksenov, Dmitrii A.,Aksenov, Nicolai A.,Aksenova, Anna A.,Aleksandrova, Elena V.,Nobi, Mezvah A.,Rubin, Michael. "Synthetic Studies toward 1,2,3,3a,4,8b-Hexahydropyrrolo[3,2-b]indole Core. Unusual Fragmentation with 1,2-Aryl Shift". . p. 1434 - 1444. Retrieved 2022/01/27.
• 2、 Belal, Amany,Eissa, Ibrahim H.,El-Gamal, Kamal M. A.,El-Sharkawy, Abdou,Elhendawy, Mostafa A.,Elsohly, Mahmoud A.,Ibrahim, Mohammed K.,Mahdy, Hazem A.,Mehany, Ahmed B. M.,Metwaly, Ahmed M.,Radwan, Mohamed M.. "Design, synthesis, molecular modeling, in vivo studies and anticancer evaluation of quinazolin-4(3H)-one derivatives as potential VEGFR-2 inhibitors and apoptosis inducers". . . Retrieved 2019/12/24.