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4-Fluoro-3-methoxybenzonitrile

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4-Fluoro-3-methoxybenzonitrile Basic information
Product Name:4-Fluoro-3-methoxybenzonitrile
Synonyms:BUTTPARK 22\01-64;4-FLUORO-3-METHOXYBENZONITRILE;Benzonitrile, 4-fluoro-3-methoxy- (9CI);4-Fluoro-3-methoxybenzonitrile 99%;4-Fluoro-3-methoxybenzonitrile99%;3-Methoxy-4-Fluorobenzonitrile;5-Cyano-2-fluoroanisole, 5-Cyano-2-fluorophenyl methyl ether;5-Cyano-2-fluoroanisole
CAS:243128-37-2
MF:C8H6FNO
MW:151.14
EINECS:607-355-6
Product Categories:blocks;Carboxes;FluoroCompounds;Nitrile;Anisoles, Alkyloxy Compounds & Phenylacetates;Fluorine Compounds;Nitriles;HALIDE
Mol File:243128-37-2.mol
4-Fluoro-3-methoxybenzonitrile Structure
4-Fluoro-3-methoxybenzonitrile Chemical Properties
Melting point 109 °C
Boiling point 96-98°C 1,5mm
density 1.18±0.1 g/cm3(Predicted)
Fp 96-98°C/1.5mm
storage temp. Sealed in dry,Room Temperature
solubility soluble in Toluene
form powder to crystal
color White to Light yellow to Light orange
BRN 2965042
CAS DataBase Reference243128-37-2(CAS DataBase Reference)
Safety Information
Hazard Codes T,Xi,Xn
Risk Statements 20/21/22-36/37/38-22
Safety Statements 26-36/37/39-36/37-9
RIDADR 3439
Hazard Note Toxic
HazardClass 6.1
PackingGroup III
HS Code 29269090
MSDS Information
ProviderLanguage
ALFA English
4-Fluoro-3-methoxybenzonitrile Usage And Synthesis
Chemical PropertiesWhite powder
Synthesis
4-FLUORO-3-METHOXYPHENYLACETIC ACID

946713-86-6

Urea

57-13-6

4-Fluoro-3-methoxybenzonitrile

243128-37-2

Cu(TFA)2 (20 mmol) was added to a pressure-sealed tube containing 0.75 mL of DMSO with 4-fluoro-3-methoxyphenylacetic acid (0.5 mmol) and urea (1.5 mmol). The reaction system was oxygenated and stirred at 130 °C for about 20 h. The reaction process was monitored by TLC and GC (the exact reaction time was determined based on GC and TLC monitoring results). Upon completion of the reaction, the reaction was cooled to room temperature. To the reaction mixture, 20 mL of ethyl acetate was added and washed sequentially with NaHCO3 solution (20 mL x 2) and water. The organic phases were combined and dried over anhydrous sodium sulfate. The aqueous phase was then extracted with ethyl acetate (20 mL x 2) and all organic phases were combined. The solvent was removed by rotary evaporator to obtain the crude product. The crude product was purified by silica gel column chromatography with the eluent ratio of ethyl acetate:petroleum ether=50:1. 4-fluoro-3-methoxybenzonitrile was finally obtained in 84% yield.

References[1] Patent: CN103772236, 2016, B. Location in patent: Paragraph 0021; 0022; 0023; 0054; 0055; 0056; 0057
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