3-(4-FLUOROBENZOYL)PROPIONIC ACID

Synonym(s):Haloperidol metabolite III;R 11302

CAS NO.：366-77-8
Empirical Formula: C10H9FO3
Molecular Weight: 196.18
MDL number: MFCD00002793
EINECS: 206-679-1
SAFETY DATA SHEET (SDS)
Update Date: 2023-05-25 10:25:50

3-(4-FLUOROBENZOYL)PROPIONIC ACID Structural

What is 3-(4-FLUOROBENZOYL)PROPIONIC ACID?

Chemical properties

beige granular powder

The Uses of 3-(4-FLUOROBENZOYL)PROPIONIC ACID

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.

What are the applications of Application

3-(4-Fluorobenzoyl)propionic acid is a metabolite of haloperidol

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.

Properties of 3-(4-FLUOROBENZOYL)PROPIONIC ACID

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)
pka	4.50±0.17(Predicted)
form	powder to crystal
color	White to Orange to Green
Water Solubility	Insoluble in water.
BRN	958145
CAS DataBase Reference	366-77-8(CAS DataBase Reference)

Safety information for 3-(4-FLUOROBENZOYL)PROPIONIC ACID

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.