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3-(4-Fluorobenzoyl)propionic acid, 97%, Thermo Scientific Chemicals Product Code.: 11464794

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

Product Code. 11464794
5 g
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Quantity:
5 g
25 g
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Product Code. 11464794

Brand: Thermo Scientific Alfa Aesar A13755.06

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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.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 366-77-8
Molecular Formula C10H9FO3
Molecular Weight (g/mol) 196.177
MDL Number MFCD00002793
InChI Key WUYWHIAAQYQKPP-UHFFFAOYSA-N
Synonym 3-4-fluorobenzoyl propionic acid, 4-4-fluorophenyl-4-oxobutanoic acid, 3-4-fluorobenzoyl propanoic acid, haloperidol metabolite iii, unii-v2z6n6jc9z, beta-4-fluorobenzoyl propionic acid, v2z6n6jc9z, 3-p-fluorobenzoyl propionic acid, 4-4-fluoro-phenyl-4-oxo-butyric acid
PubChem CID 101359
IUPAC Name 4-(4-fluorophenyl)-4-oxobutanoic acid
SMILES C1=CC(=CC=C1C(=O)CCC(=O)O)F

Specifications

Melting Point 99°C to 103°C
Odor Odorless
Quantity 5 g
Beilstein 958145
Solubility Information Insoluble in water.
Formula Weight 196.18
Percent Purity 97%
Chemical Name or Material 3-(4-Fluorobenzoyl)propionic acid

RUO – Research Use Only

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