3-(4-Fluorobenzoyl)propionic acid, 97%

Description

CAS: 366-77-8 | C10H9FO3 | 196.177 g/mol

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.

Specifications

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

• Melting Point: 99°C to 103°C
• Odor: Odorless
• Quantity: 25 g
• Beilstein: 958145
• Solubility Information: Insoluble in water.
• Formula Weight: 196.18
• Percent Purity: 97%
• Chemical Name or Material: 3-(4-Fluorobenzoyl)propionic acid

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	206-679-1
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only