ChemicalBook--->CAS DataBase List--->34918-57-5

34918-57-5

34918-57-5 Structure

34918-57-5 Structure
IdentificationBack Directory
[Name]

METHYL 2-(3-BROMO-4-HYDROXYPHENYL)ACETATE
[CAS]

34918-57-5
[Synonyms]

METHYL 2-(3-BROMO-4-HYDROXYPHENYL)ACETATE
Benzeneacetic acid, 3-bromo-4-hydroxy-, methyl ester
[Molecular Formula]

C9H9BrO3
[MDL Number]

MFCD16293381
[MOL File]

34918-57-5.mol
[Molecular Weight]

245.07
Chemical PropertiesBack Directory
[Boiling point ]

302.2±27.0 °C(Predicted)
[density ]

1.562±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

8.23±0.18(Predicted)
[Appearance]

Colorless to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 2-(3-BROMO-4-HYDROXYPHENYL)ACETATE(34918-57-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

3-BROMO-4-HYDROXYPHENYLACETIC ACID

38692-80-7

METHYL 2-(3-BROMO-4-HYDROXYPHENYL)ACETATE

34918-57-5

Step 1: Synthesis of methyl 2-(3-bromo-4-hydroxyphenyl)acetate 3-Bromo-4-hydroxyphenylacetic acid (0.3 g, 1.3 mmol, 1.0 equiv) and concentrated H2SO4 (2.77 μL, 0.05 mmol, 0.04 equiv) were dissolved in methanol (10 mL). The reaction mixture was stirred for 1 h at room temperature. Upon completion of the reaction, the reaction was quenched with NaOH solution and subsequently extracted with ethyl acetate (EtOAc). The organic layers were combined, dried with anhydrous Na2SO4 and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: hexane/EtOAc = 5:1) to afford the target compound methyl 2-(3-bromo-4-hydroxyphenyl)acetate (0.2 g, 63% yield).LCMS m/z 245.0 [M + 1]+.

[References]

[1] Patent: WO2004/62661, 2004, A1. Location in patent: Page/Page column 28
[2] Patent: WO2010/138901, 2010, A1. Location in patent: Page/Page column 155
[3] Yakugaku Zasshi, 1933, vol. 53, p. 557,563; dtsch. Ref. S. 92
[4] Chem.Abstr., 1933, p. 4223
[5] Patent: WO2004/50637, 2004, A2. Location in patent: Page 74
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