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1798-99-8

1798-99-8 Structure

1798-99-8 Structure
IdentificationBack Directory
[Name]

(3-BROMO-PHENOXY)-ACETIC ACID
[CAS]

1798-99-8
[Synonyms]

2-(3-BroMophenoxy)acetic acid
2-(3-bromophenoxy)ethanoic acid
Acetic acid, 2-(3-bromophenoxy)-
(3-bromophenoxy)acetic acid(SALTDATA: FREE)
[Molecular Formula]

C8H7BrO3
[MDL Number]

MFCD02081885
[MOL File]

1798-99-8.mol
[Molecular Weight]

231.04
Chemical PropertiesBack Directory
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

pK1: 3.09 (25°C)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

(3-BROMO-PHENOXY)-ACETIC ACID(1798-99-8)1HNMR
(3-BROMO-PHENOXY)-ACETIC ACID(1798-99-8)IR1
(3-BROMO-PHENOXY)-ACETIC ACID(1798-99-8)IR2
Hazard InformationBack Directory
[Synthesis]

Acetic acid, 2-(3-bromophenoxy)-, methyl ester

111758-64-6

(3-BROMO-PHENOXY)-ACETIC ACID

1798-99-8

The general procedure for the synthesis of 2-(3-bromophenoxy)acetic acid from methyl 2-(3-bromophenoxy)acetate was as follows: lithium hydroxide monohydrate (8.41 g, 0.2 mol) was slowly added to 100 ml of a water-THF solvent mixture (3:1, v/v) of methyl 2-(3-bromophenoxy)acetate (19.66 g, 80 mmol) at 0 °C. The reaction temperature was maintained at 0 °C and stirring was continued for 15 min. Upon completion of the reaction, the reaction mixture was acidified with aqueous 3N hydrochloric acid to pH < 3. Subsequently, extraction was carried out with ether and the organic phases were combined and dried with anhydrous magnesium sulfate. After filtration to remove the desiccant, the solvent was evaporated under reduced pressure to give 18.21 g of the white solid product 2-(3-bromophenoxy)acetic acid in 98% yield. The melting point of the product was 108 °C. The NMR hydrogen spectrum (200 MHz, CDCl3) data were as follows: δ 4.70 (s, 2H, CH2-O), 6.80-6.90 (m, 1H, ArH), 7.05-7.10 (m, 1H, ArH), 7.15-7.20 (m, 2H, ArH), 9.40-9.05 (br s, 1H, COOH).

[References]

[1] Patent: US6239284, 2001, B1
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