Chemical Property of 3-(4-Fluorobenzoyl)propionic acid
Chemical Property:
- Appearance/Colour:beige granular powder
- Vapor Pressure:2.85E-06mmHg at 25°C
- Melting Point:100-102 °C
- Refractive Index:1.528
- Boiling Point:374.4 °C at 760 mmHg
- PKA:4.50±0.17(Predicted)
- Flash Point:180.3 °C
- PSA：54.37000
- Density:1.284 g/cm3
- LogP:1.87320
- Storage Temp.:Sealed in dry,Room Temperature
- Water Solubility.:Insoluble in water.
- XLogP3:1.5
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:4
- Exact Mass:196.05357231
- Heavy Atom Count:14
- Complexity:219
- Purity/Quality:
-
99% *data from raw suppliers
4-(4-Fluorophenyl)-4-oxobutanoicAcid *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn, 
C, 
Xi
- Hazard Codes:Xn,C,Xi
- Statements:
36/37/38-20/21/22-22
- Safety Statements:
36/37/39-26-22-24/25
- MSDS Files:
-
Total 1 MSDS from other Authors
Useful:
- Canonical SMILES:C1=CC(=CC=C1C(=O)CCC(=O)O)F
-
Uses
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.
