4-(Trifluoromethyl)phenacyl bromide

Base Information

• Chemical Name: 4-(Trifluoromethyl)phenacyl bromide
• CAS No.: 383-53-9
• Molecular Formula: C9H6BrF3O
• Molecular Weight: 267.045
• Hs Code.: 29147000
• European Community (EC) Number: 609-544-9
• NSC Number: 277303
• DSSTox Substance ID: DTXSID30313791
• Nikkaji Number: J1.430.657I
• Wikidata: Q72513318
• ChEMBL ID: CHEMBL105348
• Mol file: 383-53-9.mol

Synonyms:383-53-9;4-(Trifluoromethyl)phenacyl bromide;2-bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one;2-Bromo-4'-(trifluoromethyl)acetophenone;2-bromo-1-(4-(trifluoromethyl)phenyl)ethanone;2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone;4-Trifluoromethylphenacyl bromide;Ethanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]-;CHEMBL105348;4'-(trifluoromethyl)phenacyl bromide;2-Bromo-1-(4-trifluoromethyl-phenyl)-ethanone;2-Bromo-4'-(trifluoromethyl)acetophenon;2-bromo-1-(4-(trifluoromethyl)phenyl)ethan-1-one;MFCD00126489;NSC277303;2-bromo-4'-trifluoromethylacetophenone;SCHEMBL203931;4-trifluoromethylphenacylbromide;DTXSID30313791;4-trifluoromethyl phenacyl bromide;4-trifluoromethyl-phenacyl bromide;BCP23208;BDBM50119685;p-trifluoromethyl-2-bromoacetophenone;AKOS000210354;CS-W004111;NSC-277303;2-bromo-4'-trifluoromethyl acetophenone;2-bromo-4'-trifluoromethyl-acetophenone;AS-18331;2-bromo-1-(4-trifluoromethylphenyl)ethanone;4'-(Trifluoromethyl)-alpha-bromoacetophenone;A6504;AM20040333;BB 0260509;FT-0616934;T2747;alpha-bromo-4'-(trifluoromethyl) acetophenone;1-bromo-2-(4-trifluoromethylphenyl)-2-ethanone;2-bromo-1-[4-(trifluoromethyl)-phenyl]ethanone;2-bromo-1-[4-(trifluoromethyl)phenyl]-ethanone;2-Bromo-4'-(trifluoromethyl)acetophenone, 95%;2-Bromo-1-[4-(trifluoromethyl);phenyl]ethan-1-one;Q-103450;2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one

Chemical Property of 4-(Trifluoromethyl)phenacyl bromide

Chemical Property:

• Vapor Pressure: 48.8mmHg at 25°C
• Melting Point: 45 °C
• Refractive Index: 1.374
• Boiling Point: 264.2 °C at 760 mmHg
• Flash Point: 113.6 °C
• PSA: 17.07000
• Density: 1.593 g/cm³
• LogP: 3.28300
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 265.95541
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)phenacyl bromide

There total 11 articles about 4-(Trifluoromethyl)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: 95.0%

1-(bromoethynyl)-4-(trifluoromethyl)benzene (313343-88-3) → 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone (383-53-9)

Guidance literature:

With water; In 1,2-dichloro-ethane; at 20 ℃; for 14h;

DOI:10.1080/00397911.2018.1528616

Reference yield: 94.0%

2,2-dibromo-1-(4-(trifluoromethyl)phenyl)ethan-1-one (556110-56-6) → 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone (383-53-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 28 ℃; for 20h; Irradiation; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03848

Reference yield: 88.0%

1-(4-trifluoromethylphenyl)ethanone (709-63-7) → 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone (383-53-9)

Guidance literature:

With bromine; In dichloromethane; Heating;

DOI:10.1021/jm010887p

upstream raw materials:

1-(4-trifluoromethylphenyl)ethanone

ethylene glycol

methanol

1-(bromoethynyl)-4-(trifluoromethyl)benzene

Downstream raw materials:

O-Isopropyl-S-(p-trifluormethylphenacyl)-dithiocarbonat

6-(2-Methoxy-phenoxy)-2-(4-trifluoromethyl-phenyl)-imidazo[1,2-b]pyridazin-3-ol

diethyl (2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)phosphonate

Refernces

• 1、 Kang, Lei,Wang, Fang,Zhang, Jinlong,Yang, Huameng,Xia, Chungu,Qian, Jinlong,Jiang, Gaoxi. "High Chemo-/Stereoselectivity for Synthesis of Polysubstituted Monofluorinated Pyrimidyl Enol Ether Derivatives". supporting information. p. 1669 - 1674. Retrieved 2021/03/08.
• 2、 Bantzi, Marina,Augsburger, Fiona,Loup, Jérémie,Berset, Yan,Vasilakaki, Sofia,Myrianthopoulos, Vassilios,Mikros, Emmanuel,Szabo, Csaba,Bochet, Christian G.. "Novel Aryl-Substituted Pyrimidones as Inhibitors of 3-Mercaptopyruvate Sulfurtransferase with Antiproliferative Efficacy in Colon Cancer". . p. 6221 - 6240. Retrieved 2021/05/06.