ChemicalBook--->CAS DataBase List--->444807-47-0

444807-47-0

444807-47-0 Structure

444807-47-0 Structure
IdentificationBack Directory
[Name]

Methyl 2-(4-cyanophenyl)-2-methylpropanoate
[CAS]

444807-47-0
[Synonyms]

Methyl 2-(4-cyanophenyl)-2-methylpropanoate
Benzeneacetic acid, 4-cyano-α,α-dimethyl-, methyl ester
[Molecular Formula]

C12H13NO2
[MOL File]

444807-47-0.mol
[Molecular Weight]

203.24
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
Hazard InformationBack Directory
[Synthesis]

ZINC CYANIDE

557-21-1

METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE

154825-97-5

Methyl 2-(4-cyanophenyl)-2-methylpropanoate

444807-47-0

Step C: Under argon protection, the intermediate (4.05 g), zinc cyanide (1.3 g) and tetrakis(triphenylphosphine)palladium (456 mg) obtained from step B were dissolved in dry and degassed N,N-dimethylformamide (30 mL), and the reaction was stirred at 80 °C overnight. After completion of the reaction, the mixture was concentrated, diluted with ethyl acetate, washed sequentially with 0.5 N hydrochloric acid and saturated brine, and the organic phase was dried over anhydrous sodium sulfate and purified by silica gel column chromatography (eluent: cyclohexane/ethyl acetate, 9:1 to 4:1) to afford methyl 2-(4-cyanophenyl)-2-methylpropionate (3.05 g, 95% yield) as a colorless oil. Mass spectrometric detection showed [M+H]+ peak of 204.

[References]

[1] Patent: US2008/21024, 2008, A1. Location in patent: Page/Page column 80
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