4-(Trifluoromethoxy)phenacyl bromide

Base Information

• Chemical Name: 4-(Trifluoromethoxy)phenacyl bromide
• CAS No.: 103962-10-3
• Molecular Formula: C9H6BrF3O2
• Molecular Weight: 283.045
• Hs Code.: 2914500090
• European Community (EC) Number: 628-433-6
• DSSTox Substance ID: DTXSID40381082
• Nikkaji Number: J1.690.428G
• Wikidata: Q72513235
• Mol file: 103962-10-3.mol

Synonyms:103962-10-3;4-(Trifluoromethoxy)phenacyl bromide;2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone;2-Bromo-4'-(trifluoromethoxy)acetophenone;2-Bromo-1-[4-(Trifluoromethoxy)Phenyl]Ethan-1-One;2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone;2-Bromo-4'-trifluoromethoxyacetophenone;Ethanone, 2-bromo-1-[4-(trifluoromethoxy)phenyl]-;MFCD00052333;2-bromo-1-(4-(trifluoromethoxy)phenyl)ethan-1-one;p-(trifluoromethoxy)phenacyl bromide;2-bromo-4-trifluoromethoxyacetophenoen;2-Bromo-1-(4-trifluoromethoxy-phenyl)-ethanone;SCHEMBL639632;4-trifluoromethoxyphenacyl bromide;DTXSID40381082;CL8635;AKOS000210266;CS-W004086;2-bromo-4'-trifluoromethoxy acetophenone;AM802865;AS-19144;SY032816;FT-0616895;4'-(Trifluoromethoxy)-alpha-bromoacetophenone;2-bromo-1-(4-trifluoromethoxyphenyl)-ethanone;2-BROMO-4'-TRIFLUOROMETHOXYACETOPHENOEN;2-bromo-1-[4-(trifluoromethoxy)-phenyl]ethanone;2-bromo-1-[4-(trifluoromethoxy)phenyl]-ethanone;2-Bromo-4'-(trifluoromethoxy)acetophenone, 97%;J-001076;3-PHENYLSULFONYLBENZENESULFONICACIDPOTASSIUMSALT;2-Bromo-4 inverted exclamation mark -(trifluoromethoxy)acetophenone

Chemical Property of 4-(Trifluoromethoxy)phenacyl bromide

Chemical Property:

• Appearance/Colour: solid
• Melting Point: 55 °C
• Boiling Point: 266 °C at 760 mmHg
• Flash Point: 114.7 °C
• Density: 1.621 g/cm³
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 281.95033
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: C,Xi
• Statements: 34-36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)OC(F)(F)F
• Uses: 2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one is an intermediate used to prepare aminothiazoles as therapeutic leads for prion diseases. It is also used in the synthesis of pyrrolidino-tetrahydroisoquinolines as potent dual H3 antagonist and serotonin transporter inhibitors.

Technology Process of 4-(Trifluoromethoxy)phenacyl bromide

There total 2 articles about 4-(Trifluoromethoxy)phenacyl 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: 82.0%

1-[4-(trifluoromethoxy)phenyl]ethan-1-one (85013-98-5) → 2-bromo-1-(4-(trifluoromethoxy)phenyl)ethanone (103962-10-3)

Guidance literature:

With bromine; acetic acid; at 50 ℃; for 1h;

DOI:10.1021/acs.jmedchem.7b00807

Reference yield:

→ 2-bromo-1-(4-(trifluoromethoxy)phenyl)ethanone (103962-10-3)

Guidance literature:

Reference yield: 100.0%

4-[1-(4-chlorophenyl)thioureidomethyl]benzoic acid (643012-92-4) + 2-bromo-1-(4-(trifluoromethoxy)phenyl)ethanone (103962-10-3) → 4-({(4-chlorophenyl)-[4-(4-trifluoromethoxyphenyl)thiazol-2-yl]amino}methyl)benzoic acid (643012-93-5)

Guidance literature:

4-[1-(4-chlorophenyl)thioureidomethyl]benzoic acid; 2-bromo-1-(4-(trifluoromethoxy)phenyl)ethanone; With acetic acid; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 16h;

With ammonium chloride; In DMF (N,N-dimethyl-formamide); water; ethyl acetate;

upstream raw materials:

1-[4-(trifluoromethoxy)phenyl]ethan-1-one

Downstream raw materials:

3-oxo-3-(4-(trifluoromethoxy)phenyl)propanenitrile

4-(4-trifluoromethoxyphenyl)imidazole

2-{2-[3-(3-Piperidin-1-yl-Propoxy)-phenyl]-pyrrolidin-1-yl}-1-(4-trifluoromethoxy-phenyl)-ethanone