4-(Acetylamino)-3-bromobenzoic acid

Base Information

• Chemical Name: 4-(Acetylamino)-3-bromobenzoic acid
• CAS No.: 74103-28-9
• Molecular Formula: C9H8BrNO3
• Molecular Weight: 258.071
• DSSTox Substance ID: DTXSID50429106
• Wikidata: Q82242018
• Mol file: 74103-28-9.mol

Synonyms:4-acetamido-3-bromobenzoic acid;74103-28-9;4-(acetylamino)-3-bromobenzoic acid;4-Acetamido-3-bromobenzoicacid;AE-562/43287103;3-bromo-4-acetamidobenzoic acid;SCHEMBL11635944;DTXSID50429106;YCRQMCDNYOYGCJ-UHFFFAOYSA-N;AKOS013648236;CS-0360245;FT-0656743;EN300-905403;A838012

Chemical Property of 4-(Acetylamino)-3-bromobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.96876
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)C(=O)O)Br

Technology Process of 4-(Acetylamino)-3-bromobenzoic acid

There total 6 articles about 4-(Acetylamino)-3-bromobenzoic 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: 97.8%

2-bromo-4-methylacetanilide (614-83-5) → 3-bromo-4-acetamidobenzoic acid (74103-28-9)

Guidance literature:

With oxygen; cobalt(II) acetate; sodium bromide; In acetic acid; at 100 ℃; for 1.33333h; Product distribution; var. concentration of reagents;

Reference yield: 23.0%

p-(acetylamino)benzoic acid (556-08-1) → 4-bromoacetanilide (103-88-8) + 2',4'-dibromoacetanilide (23373-04-8) + 3-bromo-4-acetamidobenzoic acid (74103-28-9)

Guidance literature:

With Oxone; sodium carbonate; sodium bromide; In methanol; water; at 20 ℃; for 24h;

DOI:10.1081/SCC-120005997

Reference yield:

4-acetamido-3-bromoacetophenone (101209-08-9) → 3-bromo-4-acetamidobenzoic acid (74103-28-9)

Guidance literature:

With permanganate(VII) ion; magnesium sulfate;

upstream raw materials:

2-bromo-4-methylacetanilide

4-acetamido-3-bromoacetophenone

magnesium sulfate

p-(acetylamino)benzoic acid

Downstream raw materials:

4-amino-3-bromo-benzoic acid

ethyl 3-bromo-4-aminobenzoate