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366-77-8

366-77-8 Structure

366-77-8 Structure
IdentificationMore
[Name]

3-(4-FLUOROBENZOYL)PROPIONIC ACID
[CAS]

366-77-8
[Synonyms]

3-(4'-FLUOROBENZOYL)PROPIONIC ACID
3-(4-FLUOROBENZOYL)PROPIONIC ACID
4-(4-FLUOROPHENYL)-4-OXOBUTANOIC ACID
4-(4-FLUOROPHENYL)-4-OXOBUTYRIC ACID
AKOS BBS-00006441
HALOPERIDOL METABOLITE III
LABOTEST-BB LT00233221
R 11302
4-FLUORO-R-OXO-BENZENEBUTANOIC ACID
Benzenebutanoic acid, 4-fluoro-.gamma.-oxo-
3-(4-Fluorobenzoyl)propionic acid 97%
3-(4-Fluorobenzoyl)propionicacid97%
beta-(4-fluorobenzoyl)propionic acid
4-Fluoro-oxo-benzenebutanoic acid
Haloperidol metabolite III, R 11302
4-Fluoro-γ-oxobenzenebutyric acid
4-Oxo-4-(4-fluorophenyl)butyric acid
β-(p-Fluorobenzoyl)propionic acid
[EINECS(EC#)]

206-679-1
[Molecular Formula]

C10H9FO3
[MDL Number]

MFCD00002793
[Molecular Weight]

196.18
[MOL File]

366-77-8.mol
Chemical PropertiesBack Directory
[Appearance]

beige granular powder
[Melting point ]

100-102 °C (lit.)
[Boiling point ]

374.4±22.0 °C(Predicted)
[density ]

1.2441 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

powder to crystal
[pka]

4.50±0.17(Predicted)
[color ]

White to Orange to Green
[Water Solubility ]

Insoluble in water.
[BRN ]

958145
[CAS DataBase Reference]

366-77-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,C,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
[WGK Germany ]

3
[Hazard Note ]

Corrosive
[HazardClass ]

IRRITANT
[HS Code ]

29183000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Succinic anhydride-->Fluorobenzene
[Preparation Products]

IMAZODAN-->7-FLUORO-1-TETRALONE-->(5-broMo-2-Methylphenyl)(5-(4-fluorophenyl)thiophen-2-yl)Methanone-->6-(4-FLUOROPHENYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONE
Hazard InformationBack Directory
[Chemical Properties]

beige granular powder
[Uses]

7-Fluoro-1-tetralone was prepared from 3-(4-fluorobenzoyl)-propionic acid by Wolff-Kishner reduction followed by ring closure with polyphosphoric acid and other substituted 1-tetralones where commercially available. Reduction of 3-(4-fluorobenzoyl)propionic acid with an excess of tert-butylamine borane (TBAB) in the presence of AlCl3 provided 4-(4-fluorophenyl)-1-butanol (87) in 63% yield for the synthesis of LM-1507 sodium salt. Penfluridol 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-chloro-3-trifluoromethylphenyl)- 4-hydroxypiperidine, C 28 H 27 ClF 5 NO, M r 523.99, mp 105 - 107°C, is obtained by reducing the ketone of 3-(4-fluorobenzoyl)propionic acid into a lactone.
[Definition]

ChEBI: 4-(4-Fluorophenyl)-4-oxobutanoic acid is an aromatic ketone.
[General Description]

3-(4-Fluorobenzoyl)propionic acid is a metabolite of haloperidol, a dopamine D2 receptor blocker.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-FLUOROBENZOYL)PROPIONIC ACID(366-77-8)MS
3-(4-FLUOROBENZOYL)PROPIONIC ACID(366-77-8)1HNMR
3-(4-FLUOROBENZOYL)PROPIONIC ACID(366-77-8)13CNMR
3-(4-FLUOROBENZOYL)PROPIONIC ACID(366-77-8)IR1
3-(4-FLUOROBENZOYL)PROPIONIC ACID(366-77-8)IR2
3-(4-FLUOROBENZOYL)PROPIONIC ACID(366-77-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(4-Fluorobenzoyl)propionic acid, 97%(366-77-8)
[Alfa Aesar]

3-(4-Fluorobenzoyl)propionic acid, 98%(366-77-8)
[Sigma Aldrich]

366-77-8(sigmaaldrich)
[TCI AMERICA]

3-(4-Fluorobenzoyl)propionic Acid,>97.0%(T)(366-77-8)
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