1-(4-Bromophenyl)-2-fluoro-ethanone

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2-fluoro-ethanone
• CAS No.: 403-30-5
• Molecular Formula: C8H6 Br F O
• Molecular Weight: 217.037
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00434528
• Nikkaji Number: J1.255.147I
• Wikidata: Q82248976
• Mol file: 403-30-5.mol

Synonyms:403-30-5;1-(4-bromophenyl)-2-fluoro-ethanone;1-(4-Bromophenyl)-2-fluoroethanone;1-(4-Bromophenyl)-2-fluoroethan-1-one;Ethanone, 1-(4-bromophenyl)-2-fluoro- (9CI);SCHEMBL691537;DTXSID00434528;alpha-Fluoro-4'-bromoacetophenone;PATCUTBZBAERHM-UHFFFAOYSA-N;MFCD13173359;1-(4-Bromo-phenyl)-2-fluoro-ethanone;1-(4-Bromophenyl)-2-fluoro-1-ethanone;EN300-818792;W17424

Chemical Property of 1-(4-Bromophenyl)-2-fluoro-ethanone

Chemical Property:

• Melting Point: 72 °C
• Boiling Point: 282.3±20.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.521±0.06 g/cm3(Predicted)
• LogP: 2.60130
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.95861
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CF)Br

Technology Process of 1-(4-Bromophenyl)-2-fluoro-ethanone

There total 24 articles about 1-(4-Bromophenyl)-2-fluoro-ethanone 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: 92.0%

para-bromophenacyl bromide (99-73-0,132309-76-3) → 1-(4-bromophenyl)-2-fluoroethan-1-one (403-30-5)

Guidance literature:

With potassium fluoride; zinc(II) fluoride; In acetonitrile; at 100 ℃; for 24h;

DOI:10.1002/anie.201510554

Reference yield: 81.0%

para-bromoacetophenone (99-90-1) → 1-(4-bromophenyl)-2-fluoroethan-1-one (403-30-5) + 1-(4-bromophenyl)-2,2-difluoroethan-1-one (173974-88-4)

Guidance literature:

para-bromoacetophenone; With methanol; Selectfluor; for 1.33333h; Microwave irradiation;

With water; for 0.25h; Microwave irradiation;

DOI:10.1016/j.tet.2009.09.070

Reference yield: 76.0%

3-(4-bromophenyl)-3-oxopropanoic acid (64929-35-7) → 1-(4-bromophenyl)-2-fluoroethan-1-one (403-30-5)

Guidance literature:

With caesium carbonate; N-fluorobis(benzenesulfon)imide; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1016/j.jfluchem.2017.08.010

upstream raw materials:

bromobenzene

fluoroacetyl fluoride

monofluoroacetyl chloride

para-bromophenacyl bromide

Downstream raw materials:

para-bromoacetophenone

(±)-1-(4-bromophenyl)-2-fluoro-ethanamine

(S)-1-(4-bromophenyl)-2-fluoroethylamine

(R)-1-(4-bromophenyl)-2-fluoroethylamine

Refernces

• 1、 -. "Method for synthesizing alpha-fluorinated ketone through hydrazone aliphatic chain monoketone". Paragraph 0089-0091. . Retrieved 2021/02/06.
• 2、 Colella, Marco,Degennaro, Leonardo,Higuma, Ryosuke,Ishikawa, Susumu,Luisi, Renzo,Nagaki, Aiichiro,Takahashi, Yusuke,Tota, Arianna. "Fluoro-Substituted Methyllithium Chemistry: External Quenching Method Using Flow Microreactors". supporting information. p. 10924 - 10928. Retrieved 2020/05/08.