ChemicalBook--->CAS DataBase List--->582-83-2

582-83-2

582-83-2 Structure

582-83-2 Structure
IdentificationMore
[Name]

1-(4-FLUORO-PHENYL)-BUTAN-1-ONE
[CAS]

582-83-2
[Synonyms]

1-(4-FLUORO-PHENYL)-BUTAN-1-ONE
4'-FLUOROBUTYROPHENONE
1-Butanone, 1-(4-fluorophenyl)-
Butyrophenone, 4'-fluoro-
p-Fluorobutyrophenone
1-(4-Fluorophenyl)-1-butanone
p-Fluorophenylpropyl ketone
[EINECS(EC#)]

209-492-3
[Molecular Formula]

C10H11FO
[MDL Number]

MFCD00017967
[Molecular Weight]

166.19
[MOL File]

582-83-2.mol
Chemical PropertiesBack Directory
[Melting point ]

38 °C
[Boiling point ]

102 °C
[density ]

1.050±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Water Solubility ]

Insoluble in water.
[CAS DataBase Reference]

582-83-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2914790090
Hazard InformationBack Directory
[Uses]

4'-fluorobutyrophenone derivatives is used in the preparation of its derivatives that includes haloperidol, haloanisone, triperidol, methylperidide, haloperidide and dipiperone.
[Synthesis]

Fluorobenzene

462-06-6

Butyryl chloride

141-75-3

1-(4-FLUORO-PHENYL)-BUTAN-1-ONE

582-83-2

In a 500 mL four-necked flask, n-butyryl chloride (55.5 g, 0.52 mol) was dissolved in ethylene dichloride (250 mL), stirred well, and cooled to about 10°C. Fluorobenzene (52.1 g, 0.57 mol) was dissolved in 100 mL of ethylene dichloride, prepared as a solution and then slowly added dropwise to the n-butyryl chloride solution. After the dropwise addition was completed, the reaction mixture was heated and the reaction process was monitored by thin layer chromatography (TLC) or gas chromatography (GC). Upon completion of the reaction, the reaction solution was poured into a mixture of dilute hydrochloric acid and ice, stirred for 1 hour, and left to stratify. The organic phase was separated and washed sequentially with water and saturated sodium carbonate solution. The solvent was removed by distillation under reduced pressure, and the fraction at 102~105°C/9 mmHg was collected to give 77.8 g of 4-fluorobutyrophenone in 90% yield and 99.0% purity.

[References]

[1] Patent: CN105384707, 2016, A. Location in patent: Paragraph 0003; 0026
[2] Patent: WO2018/165520, 2018, A1. Location in patent: Page/Page column 159
[3] Recueil des Travaux Chimiques des Pays-Bas, 1949, vol. 68, p. 781,785
[4] Archiv der Pharmazie, 1963, vol. 296, p. 324 - 336
[5] Patent: CN104974053, 2017, B. Location in patent: Paragraph 0062; 0063
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-FLUORO-PHENYL)-BUTAN-1-ONE(582-83-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4'-Fluorobutyrophenone, 97%(582-83-2)
[Sigma Aldrich]

582-83-2(sigmaaldrich)
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