2-(4-fluorophenyl)propionic acid

The Benzeneacetic acid,4-fluoro-α-methyl- is an organic compound with the formula C₉H₉FO₂. The IUPAC name of this chemical is 2-(4-fluorophenyl)propanoic acid. With the CAS registry number 75908-73-5, it is also named as 4-Fluoro-α-methylphenylacetic acid.

Physical properties about Benzeneacetic acid,4-fluoro-α-methyl- are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): -1.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 41.99 cm³; (14)Molar Volume: 138.3 cm³; (15)Polarizability: 16.64×10^-24cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.215 g/cm³; (18)Flash Point: 110.3 °C; (19)Enthalpy of Vaporization: 52.45 kJ/mol; (20)Boiling Point: 258.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00688 mmHg at 25°C.

Preparation: this chemical can be prepared by methylmagnesium iodide and 4-fluoro-β-nitrostyrene. This reaction will need reagent 85 percent H₂SO₄ and solvent THF. The reaction time is 10 min with reaction temperature of -20 °C. The yield is about 44%.

Uses of Benzeneacetic acid,4-fluoro-α-methyl-: it can be used to produce methyl a-(p-fluorophenyl)propionate at temperature of 30 °C. It will need reagent Nocardia diaphanozonaria with reaction time of 16 hours. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(C(=O)O)C
(2)InChI: InChI=1/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
(3)InChIKey: IXSCGBODJGIJNN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: IXSCGBODJGIJNN-UHFFFAOYSA-N