3-Bromophenylacetic acid

white crystalline powder or needles

General procedure: A 100 mL reactor equipped with Teflon-coated magnetic stir bars was charged with n-Butyl alcohol (20 mL) and the catalyst (0.5 mmol). The reactor was then taken out of the glove box and pressured with carbon monoxide (1 atm). The mixture was stirred 2 h at 60 °C, cooled to ambient temperature and slowly vented. After benzyl chloride (10 mmol), NaOH (15 mL, 15percent), and TBAI (0.25 mmol) were added, the reactor was sealed and the reaction mixtures were stirred for 22 h at 60 °C under carbon monoxide (1 atm). After the reaction, the water phase was detached and washing the organic phase three times with HIn 1000ml three-necked flask of sublimed sulfur were added 24g (0.75mol), 100g3- bromoacetophenone (0.5mol) and 65.4g (0.75mol) morpholine was stirred at reflux for 14 hours. Cooling to 20 ~ 30 , stirring joined by glacial acetic acid 260ml, 75ml and 52ml distilled water mixed with concentrated sulfuric acid solution dubbed refluxing was continued for 6 hours. The reaction mixture was poured into ice water, stirring to brown solid precipitated was filtered. The solid was dissolved 300ml20percent aqueous sodium hydroxide solution and filtered. The filtrate was placed in an ice bath, 2mol / L of hydrochloric acid to adjust pH = 1 ~ 2, crystallization, filtration, 60 dried to give 99.2g of yellow solid 2, a yield of 92.3percent.Under room temperature, will ethyl 3-bromophenylacetate (5.0 g, 20.6 mmol) and LiOH (1.0 g, 41.8 mmol) added THF (30 ml) and water (20 ml) in the mixed solution. Under room temperature, the resultant reaction mixture of 1 hour. Using 2N pH=2. HCl solution to adjust the The resulting mixture is extracted with ethyl acetate. The resulting organic phase is concentrated to obtain 4.1 g of white solid.

3-Bromophenylacetic Acid is a halo substituted phenylacetic acid with anti oxidative properties. 3-Bromophenylacetic Acidhas been shown to inhibit penicillin biosynthetic enzymes.

Molecular Weight:215.04
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes