3-Chloro-1-(2-fluorophenyl)propan-1-one

Base Information

• Chemical Name: 3-Chloro-1-(2-fluorophenyl)propan-1-one
• CAS No.: 898767-04-9
• Molecular Formula: C9H8ClFO
• Molecular Weight: 186.61
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID50601642
• Wikidata: Q82498420
• Mol file: 898767-04-9.mol

Synonyms:3-Chloro-1-(2-fluorophenyl)propan-1-one;898767-04-9;3-chloro-1-(2-fluorophenyl)-1-propanone;3-Chloro-1-(2-fluorophenyl)-1-oxopropane;MFCD07699515;3-Chloro-1-(2-fluoro-phenyl)-propan-1-one;SCHEMBL8972179;DTXSID50601642;AMY17066;AC7173;AKOS006287530;SS-3519;SY096664;DB-356885;CS-0045341;EN300-248047

Chemical Property of 3-Chloro-1-(2-fluorophenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.00937mmHg at 25°C
• Boiling Point: 265°C at 760 mmHg
• Flash Point: 114.1°C
• PSA: 17.07000
• Density: 1.219g/cm³
• LogP: 2.63730
• Storage Temp.: Room temperature.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.0247707
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-1-(2-fluorophenyl)-1-oxopropane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-1-(2-fluorophenyl)propan-1-one

There total 4 articles about 3-Chloro-1-(2-fluorophenyl)propan-1-one 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:

ethene (74-85-1) + o-fluoro-benzoic acid (445-29-4) → 3-chloro-1-(2-fluorophenyl)propan-1-one (898767-04-9)

Guidance literature:

o-fluoro-benzoic acid; With thionyl chloride; In benzene; Heating / reflux;

ethene; With aluminum (III) chloride; In 1,2-dichloro-ethane; at 10 - 20 ℃;

Reference yield:

o-fluorobromobenzene (1072-85-1) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-1-(2-fluorophenyl)propan-1-one (898767-04-9)

Guidance literature:

o-fluorobromobenzene; With TurboGrignard; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

2-chloropropionyl chloride; In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere;

Reference yield:

ethene (74-85-1) + 2-Fluorobenzoyl chloride (393-52-2) → 3-chloro-1-(2-fluorophenyl)propan-1-one (898767-04-9)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at 20 ℃;

DOI:10.1021/jo035289s

upstream raw materials:

ethene

2-Fluorobenzoyl chloride

o-fluoro-benzoic acid

o-fluorobromobenzene

Downstream raw materials:

7-fluoro-2,3-dihydro-1H-inden-1-one

(R)-6-allyl-3-((S)-1-(4'-fluoro-[1,1'-biphenyl]-4-yl)ethyl)-6-(2-fluorophenyl)-1,3-oxazinan-2-one

(R)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(2-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one

(R)-6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-fluorophenyl)-1,3-oxazinan-2-one