ChemicalBook--->CAS DataBase List--->226888-37-5

226888-37-5

226888-37-5 Structure

226888-37-5 Structure
IdentificationBack Directory
[Name]

METHYL 2-(4-FLUORO-3-NITROPHENYL)ACETATE
[CAS]

226888-37-5
[Synonyms]

Methyl 3-nitro-4-fluorophenylacetate
Methyl (4-fluoro-3-nitrophenyl)acetate
METHYL 2-(4-FLUORO-3-NITROPHENYL)ACETATE
4-fluoro-3-nitrophenylacetic acid methyl ester
Benzeneacetic acid, 4-fluoro-3-nitro-, methyl ester
[Molecular Formula]

C9H8FNO4
[MDL Number]

MFCD09909451
[MOL File]

226888-37-5.mol
[Molecular Weight]

213.16
Chemical PropertiesBack Directory
[Boiling point ]

320.5±27.0 °C(Predicted)
[density ]

1.346±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Light yellow to yellow Solid-liquid mixture
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 2-(4-FLUORO-3-NITROPHENYL)ACETATE(226888-37-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

(4-FLUORO-3-NITROPHENYL)ACETIC ACID

192508-36-4

METHYL 2-(4-FLUORO-3-NITROPHENYL)ACETATE

226888-37-5

General procedure for the synthesis of methyl 3-nitro-4-fluorophenylacetate from methanol and 3-nitro-4-fluorophenylacetic acid: 2-(4-fluoro-3-nitrophenyl)acetic acid (28.8 g, 0.14 mol) was mixed with a solution of methanol (30 mL) with concentrated sulfuric acid (10 mL), and the reaction was stirred at 80 °C overnight. Upon completion of the reaction, the mixture was quenched with ice water and extracted with ethyl acetate (EtOAc). The organic layer was washed sequentially with saturated aqueous sodium bicarbonate (NaHCO3) and brine, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated to afford methyl 3-nitro-4-fluorophenylacetate (30 g, 97% yield) as a yellow oil.LC-MS (ESI) m/z calculated value C9H8FNO4: 213.04; measured value: 214.26 ( [M+H]+).

[References]

[1] Patent: WO2018/116107, 2018, A1. Location in patent: Page/Page column 26
[2] Patent: WO2004/89912, 2004, A1. Location in patent: Page 25
[3] Patent: US2003/207926, 2003, A1. Location in patent: Page/Page column 42
[4] Patent: WO2013/131408, 2013, A1. Location in patent: Page/Page column 83
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