2-Bromo-4-fluorobenzamide

Base Information

• Chemical Name: 2-Bromo-4-fluorobenzamide
• CAS No.: 1006-40-2
• Molecular Formula: C7H5BrFNO
• Molecular Weight: 218.025
• Hs Code.: 2924299090
• European Community (EC) Number: 850-939-2
• DSSTox Substance ID: DTXSID10606299
• Nikkaji Number: J2.913.724B
• Wikidata: Q82504991
• Mol file: 1006-40-2.mol

Synonyms:2-bromo-4-fluorobenzamide;1006-40-2;2-bromo-4-fluoro-benzamide;Benzamide, 2-bromo-4-fluoro-;SCHEMBL4638742;DTXSID10606299;IWODMEGZVDWKPK-UHFFFAOYSA-N;BAA00640;MFCD06409122;AKOS000197473;FD10659;DB-251372;CS-0216808;EN300-61573;Z101185864

Chemical Property of 2-Bromo-4-fluorobenzamide

Chemical Property:

• PSA: 44.08000
• LogP: 2.57130
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.95385
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromo-4-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Br)C(=O)N

Technology Process of 2-Bromo-4-fluorobenzamide

There total 2 articles about 2-Bromo-4-fluorobenzamide 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: 94.0%

2-bromo-4-fluorobenzoic acid (1006-41-3) → 2-bromo-4-fluorobenzamide (1006-40-2)

Guidance literature:

2-bromo-4-fluorobenzoic acid; With thionyl chloride; for 3h; Reflux; Inert atmosphere;

With ammonium hydroxide; at 20 ℃; for 16h;

DOI:10.1039/c0ob00449a

Reference yield: 79.0%

p-fluorobenzamide (824-75-9) → 2-bromo-4-fluorobenzamide (1006-40-2)

Guidance literature:

With N-Bromosuccinimide; silver hexafluoroantimonate; trifluorormethanesulfonic acid; nickel diacetate; In 1,2-dichloro-ethane; at 80 ℃; for 12h; regioselective reaction;

DOI:10.1039/C8NJ06023A

Reference yield: 97.0%

2-bromo-4-fluorobenzamide (1006-40-2) → 2-bromo-4-fluorobenzonitrile (36282-26-5)

Guidance literature:

With thionyl chloride; for 3h; Reflux; Inert atmosphere;

DOI:10.1039/c0ob00449a

upstream raw materials:

2-bromo-4-fluorobenzoic acid

p-fluorobenzamide

Downstream raw materials:

2-bromo-4-fluorobenzonitrile

7-fluoro-1-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

1-(4-chlorophenyl)-7-fluoro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

7-fluoro-1-(4-methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one