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  8. 3-(4-Fluorobenzoyl)propionic acid, 97%

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

Numéro de catalogue. p-7021429
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AAA1375506 5 g
AAA1375514 25 g
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Numéro de catalogue. AAA1375506 Fournisseur Thermo Scientific Chemicals Code fournisseur A1375506
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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.

Identifiants chimiques

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

Spécifications

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

Sécurité et manipulation

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

RUO – Research Use Only