4'-Bromo-2'-(trifluoromethyl)acetanilide

Base Information

• Chemical Name: 4'-Bromo-2'-(trifluoromethyl)acetanilide
• CAS No.: 29124-62-7
• Molecular Formula: C9H7 Br F3 N O
• Molecular Weight: 282.06
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID90378447
• Nikkaji Number: J3.390.923C
• Wikidata: Q82167947
• Mol file: 29124-62-7.mol

Synonyms:29124-62-7;4'-Bromo-2'-(trifluoromethyl)acetanilide;N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide;N-(4-Bromo-2-(trifluoromethyl)phenyl)acetamide;n-acetyl 4-bromo-2-trifluoromethylaniline;2-Acetamido-5-bromobenzotrifluoride;N-Acetyl 4-bromo-2-trifuoromethylaniline;SCHEMBL2359710;DTXSID90378447;MFCD00672936;AKOS009158289;AKOS015910082;PS-6804;N-Acetyl-4-bromo-2-trifluoromethylaniline;CS-0211299;D79911;EN300-199721;N-(4-bromo-2-trifluoromethyl-phenyl)-acetamide;A819777

Chemical Property of 4'-Bromo-2'-(trifluoromethyl)acetanilide

Chemical Property:

• PSA: 29.10000
• LogP: 3.49930
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 280.96631
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Bromo-2-(trifluoromethyl)phenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Bromo-2'-(trifluoromethyl)acetanilide

There total 6 articles about 4'-Bromo-2'-(trifluoromethyl)acetanilide 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: 97.0%

4-bromo-2-trifluoromethyl-aniline (445-02-3) + acetyl chloride (75-36-5) → N-(4-bromo-2-trifluoromethyl-phenyl)-acetamide (29124-62-7)

Guidance literature:

In chloroform; at 0 - 20 ℃;

Reference yield: 96.0%

N-[2-(trifluoromethyl)phenyl]acetamide (344-62-7) → N-(4-bromo-2-trifluoromethyl-phenyl)-acetamide (29124-62-7)

Guidance literature:

With N-Bromosuccinimide; silver hexafluoroantimonate; 1-methylthiotriptycene; In 1,2-dichloro-ethane; at 20 ℃; for 46h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.9b12672

Reference yield: 76.0%

4-bromoacetanilide (103-88-8) + Langlois reagent (2926-29-6) → N-(4-bromo-2-trifluoromethyl-phenyl)-acetamide (29124-62-7)

Guidance literature:

With palladium diacetate; In dimethyl sulfoxide; at 25 ℃; for 20h; Irradiation;

DOI:10.1039/c9cc01014a

upstream raw materials:

4-bromo-2-trifluoromethyl-aniline

acetyl chloride

4-bromoacetanilide

Langlois reagent

Downstream raw materials:

N-(4-bromo-2-nitro-6-trifluoromethyl-phenyl)-acetamide

N-[4-(4'-pyridyl)-2-trifluoromethylphenyl]acetamide

1-(4-bromo-2-trifluoromethyl-phenyl)-5-methyl-1H-tetrazole

5-cyclopropyl-3-(trifluoromethyl)-1,2-benzenediamine