Trifluoroacetyl bromide

Base Information

• Chemical Name: Trifluoroacetyl bromide
• CAS No.: 354-31-4
• Molecular Formula: C2BrF3O
• Molecular Weight: 176.921
• DSSTox Substance ID: DTXSID00416021
• Nikkaji Number: J865.825K
• Wikidata: Q82225144
• Mol file: 354-31-4.mol

Synonyms:trifluoroacetyl bromide;Acetyl bromide, trifluoro-;354-31-4;SCHEMBL6113519;DTXSID00416021;DTJIBVSGNIAPCX-UHFFFAOYSA-N;AKOS006373645;InChI=1/C2BrF3O/c3-1(7)2(4,5)

Chemical Property of Trifluoroacetyl bromide

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.90846
• Heavy Atom Count: 7
• Complexity: 85.4

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(F)(F)F)Br

Technology Process of Trifluoroacetyl bromide

There total 2 articles about Trifluoroacetyl bromide 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: 65.0%

trifluoroacetyl fluoride (354-34-7) → Bromotrifluoromethane (75-63-8) + trifluoroacetyl bromide (354-31-4)

Guidance literature:

With lithium bromide; at 330 ℃; for 5h;

DOI:10.1039/p19960000915

Reference yield:

trifluoracetyl chloride (354-32-5) → Carbonyl fluoride (353-50-4) + Bromotrifluoromethane (75-63-8) + trifluoroacetyl bromide (354-31-4) + carbon monoxide (201230-82-2)

Guidance literature:

With bromine; at 22.84 ℃; under 650 Torr; Wavelength; Quantum yield; Inert atmosphere; Photolysis; UV-irradiation;

DOI:10.1016/j.cplett.2015.09.024

Reference yield: 91.2%

trifluoroacetyl bromide (354-31-4) + para-methylacetophenone (122-00-9) → 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione (720-94-5)

Guidance literature:

para-methylacetophenone; With sodium ethanolate; In diethyl ether; at 40 ℃; for 6h;

trifluoroacetyl bromide; In acetonitrile; at 50 ℃; for 3h;

upstream raw materials:

trifluoroacetyl fluoride

trifluoracetyl chloride

Downstream raw materials:

2,2,2-trifluoro-N-phenylacetamide

2,2,2-trifluoro-N-{2,2,2-trifluoro-1-(trifluoromethyl) ethylidene}acetamide

cyclohexanone enol trifluoroacetate

acetophenone enol trifluoroacetate

Refernces

• 1、 Fukaya, Haruhiko,Matsumoto, Tomonori,Hayashi, Eiji,Hayakawa, Yoshio,Abe, Takashi. "Facile conversion of perfluoroacyl fluorides into other acyl halides". . p. 915 - 920. Retrieved 2007/10/03.