ChemicalBook--->CAS DataBase List--->51788-80-8

51788-80-8

51788-80-8 Structure

51788-80-8 Structure
IdentificationMore
[Name]

4-FLUORO-2-METHOXYACETOPHENONE
[CAS]

51788-80-8
[Synonyms]

4'-FLUORO-2'-METHOXYACETOPHENONE
4-FLUORO-2-METHOXYACETOPHENONE
2-methoxy-4-fluoroacetophenone
4'-Fluoro-2'-methoxyacetophenone 98%
4'-Fluoro-2'-methoxyacetophenone98%
4'-fluoro-2'-methoxyacetophenone,1-(4-fluoro-2-methoxyphenyl)ethanone
1-(4-fluoro-2-methoxyphenyl)ethanone
[Molecular Formula]

C9H9FO2
[MDL Number]

MFCD00061143
[Molecular Weight]

168.16
[MOL File]

51788-80-8.mol
Chemical PropertiesBack Directory
[Melting point ]

51 °C
[Boiling point ]

228.4±20.0 °C(Predicted)
[density ]

1.127±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

crystalline powder
[color ]

White
[BRN ]

2251986
[CAS DataBase Reference]

51788-80-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2914500090
Hazard InformationBack Directory
[Uses]

4''-Fluoro-2''-methoxyacetophenone
[Preparation]

Preparation by reaction of methyl iodide with 4-fluoro-2-hydroxyacetophenone in the presence of potassium carbonate,
? in DMSO at r.t. for 1 h (100%);
? in acetone (97%).
[Synthesis]

4'-Fluoro-2'-hydroxyacetophenone

1481-27-2

Iodomethane

74-88-4

4-FLUORO-2-METHOXYACETOPHENONE

51788-80-8

4-Fluoro-2-hydroxyacetophenone (12.0 g, 77.9 mmol) was reacted with iodomethane (6.38 ml, 101 mmol) and potassium carbonate (14.0 g, 101 mmol) in acetonitrile (200 ml) at 75 °C for 8 hours. After completion of the reaction, the mixture was cooled to room temperature, filtered and concentrated under reduced pressure to remove the solvent. To the residue was added fresh acetonitrile (150 ml), iodomethane (2 ml, 32 mmol) and potassium carbonate (4 g, 29 mmol) and the reaction was continued at 75°C for 3 hours. The reaction mixture was concentrated, diluted by adding ethyl acetate (100 ml), filtered and the solvent was evaporated under reduced pressure to give 4-fluoro-2-methoxyacetophenone (13.5 g, 100% yield). Mass spectral data: m/z 168 (M+, 11), 153 (base peak), 110 (23), 95 (21), 82 (12).

[References]

[1] Journal of Medicinal Chemistry, 2004, vol. 47, # 15, p. 3823 - 3842
[2] Patent: WO2009/133110, 2009, A1. Location in patent: Page/Page column 38
[3] Journal of Medicinal Chemistry, 1988, vol. 31, # 8, p. 1590 - 1595
[4] Journal of Medicinal Chemistry, 2014, vol. 57, # 4, p. 1583 - 1598
[5] Journal of Medicinal Chemistry, 1999, vol. 42, # 20, p. 4150 - 4160
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4'-Fluoro-2'-methoxyacetophenone, 97%(51788-80-8)
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