Thermo Scientific Chemicals

3-(4-Fluorobenzoyl)propionic acid, 97%, Thermo Scientific Chemicals

Catalog number: A13755.14
25 g, Each
Thermo Scientific Chemicals

3-(4-Fluorobenzoyl)propionic acid, 97%, Thermo Scientific Chemicals

Catalog number: A13755.14
25 g, Each
Quantity
Catalog number: A13755.14
also known as A13755-14
Price (EUR)
Quantity
-

Chemical Identifiers

CAS
366-77-8
IUPAC Name
4-(4-fluorophenyl)-4-oxobutanoic acid
Molecular Formula
C10H9FO3
InChI Key
WUYWHIAAQYQKPP-UHFFFAOYSA-N
SMILES
OC(=O)CCC(=O)C1=CC=C(F)C=C1
Assay (HPLC)
≥96.0%
Form
Crystals or powder or crystalline powder or fused solid
Appearance (Color)
White to cream
Assay (Aqueous acid-base Titration)
≥96.0 to ≤104.0%
Melting Point (clear melt)
96.0-106.0?C

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.
RUO – Research Use Only

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    Safety and Handling


    Classification of the substance or mixture
    CLP classification - Regulation(EC) No 1272/2008
    Skin Corrosion/Irritation
    Category 2
    Serious Eye Damage/Eye Irritation
    Category 2
    Specific target organ toxicity - (single exposure)
    Category 3
    Label Elements
    Signal Word

    Warning

    Hazard Statements

    H315 - Causes skin irritation

    H319 - Causes serious eye irritation

    H335 - May cause respiratory irritation

    Precautionary Statements

    P261 - Avoid breathing dust/fume/gas/mist/vapors/spray

    P280 - Wear protective gloves/protective clothing/eye protection/face protection

    P302 + P352 - IF ON SKIN: Wash with plenty of soap and water

    P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing