1,4-Benzenediacetic acid

light yellow to beige powder

General procedure: 1 mmol of the selenium-containing catalyst prepared in and 20 mL of n-butanol were placed in the flask, and air was discharged through carbon monoxide. The pressure was 0.1 MPa at a carbon monoxide, and the mixture was heated under reflux for 2 hours to activate the catalyst. After completion of the reaction, 20 mmol of benzyl chloride, 25 mL of 15percent sodium hydroxide solution, 0.05 mmol of tetrabutylammonium bromide, and carbon monoxide were discharged to the air, and the reaction was carried out for one day under the conditions of a carbon monoxide pressure of 0.1 MPa and a temperature of 50 °C. After completion of the reaction, the aqueous phase in the reaction mixture was separated using a sep. funnel, and the organic phase was washed with water (15 mL×3). The aqueous phase and the washing liquid were combined, and concentrated to 15 mL by heating. After cooling, hydrochloric acid was added to adjust the pH of the solution to 2. The resulting solution was frozen at a temperature below 5 ° C for 12 hours, suction filtered, and dried to give phenylacetic acid in a yield of 92percent. With the embodiment 2 similar, the difference lies in that: the raw material benzyl chloride was changed to benzyl dichloride, phenylenediacetic acid to be 2.55 g, yield 90percent.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 H

1,4-Phenylenediacetic Acid is an arenediacetic acid used in the preparation of flurorescent whitening agents. 1,4-Phenylenediacetic Acid has fluorescent properties that allow for use in fluorescent pr obes.

Molecular Weight:194.18
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.05790880
Monoisotopic Mass:194.05790880
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes