Benzoic acid, 2-[(4-bromobenzoyl)amino]-

Base Information

• Chemical Name: Benzoic acid, 2-[(4-bromobenzoyl)amino]-
• CAS No.: 100874-12-2
• Molecular Formula: C14H10BrNO3
• Molecular Weight: 320.142
• DSSTox Substance ID: DTXSID10398405
• Nikkaji Number: J1.773.897F
• Wikidata: Q82200330
• Mol file: 100874-12-2.mol

Synonyms:Benzoic acid, 2-[(4-bromobenzoyl)amino]-;100874-12-2;2-{[(4-bromophenyl)carbonyl]amino}benzoic acid;Oprea1_797704;SCHEMBL1307525;DTXSID10398405;HXYGUIBNBZJOOW-UHFFFAOYSA-N;2-(4-Bromobenzoylamino)benzoic acid;STK156130;AKOS000129728

Chemical Property of Benzoic acid, 2-[(4-bromobenzoyl)amino]-

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 318.98441
• Heavy Atom Count: 19
• Complexity: 340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)Br

Technology Process of Benzoic acid, 2-[(4-bromobenzoyl)amino]-

There total 10 articles about Benzoic acid, 2-[(4-bromobenzoyl)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: 100.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + 4-chlorobenzoyl chloride (586-75-4) → 2-(4-bromobenzamido)benzoic acid (100874-12-2)

Guidance literature:

With triethylamine; In tetrahydrofuran;

DOI:10.1016/j.saa.2016.05.008

Reference yield: 83.0%

2-(4-bromophenyl)indole (6127-49-7) → 2-(4-bromobenzamido)benzoic acid (100874-12-2)

Guidance literature:

With tert.-butylhydroperoxide; In water; chlorobenzene; at 125 ℃; for 16h;

DOI:10.1039/c9ob00797k

Reference yield:

4'-bromo-1H-2-phenyl-3-hydroxy-4-oxoquinoline (144294-89-3) → 2-(4-bromobenzamido)benzoic acid (100874-12-2) + 4-Bromobenzoic acid (586-76-5) + 2-(4-bromophenyl)-4H-benzo[d][1,3]oxazine-4-one (18600-53-8) + phenylglyoxylic acid (1446212-85-6) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4)

Guidance literature:

With oxygen; In water; dimethyl sulfoxide; at 20 ℃; for 6h; pH=10.4; Schlenk technique;

DOI:10.1016/j.tet.2013.05.117

upstream raw materials:

2-(4-bromobenzoyl)benzoic acid

2-(4-bromophenyl)-4H-benzo[d][1,3]oxazine-4-one

4'-bromo-1H-2-phenyl-3-hydroxy-4-oxoquinoline

anthranilic acid

Downstream raw materials:

2-(4-bromophenyl)-4H-benzo[d][1,3]oxazine-4-one