Methyl 3-(cyanomethyl)benzoate Chemical Properties

Boiling point:

314.1±25.0 °C(Predicted)

Density 

1.141±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

Safety Information

HazardClass 

IRRITANT

HS Code 

2926907090

Methyl 3-(cyanomethyl)benzoate Usage And Synthesis

Uses

Methyl 3-(cyanomethyl)benzoate is used as an intermediate in organic synthesis for the preparation of other compounds such as 3-(cyanomethyl)benzoic acid.

Synthesis

Methyl 3-(cyanomethyl)benzoate is synthesised using Methyl 3-(bromomethyl)benzoate as raw material by chemical reaction. The specific synthesis steps are as follows:
(i) To a solution of methyl 3-bromobenzoate (10.0 g, 44 mmol) in acetonitrile (100 mL) were added potassium cyanide (5.7 g, 87 mmol) and 18-crown-6 (1.0 g), and the mixture was stirred at room temperature for 3 days. The reaction mixture was filtered, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate/hexane=5/95-->30/70), and the fraction containing the object product was concentrated under reduced pressure to give the title compound (7.0 g, 91percent) as a colorless oil. 1H-NMR (DMSO-d6, 300 MHz) δ 3.88 (3H, s), 4.17 (2H, s), 7.57 (1H, t, J = 7.6 Hz), 7.61 - 7.69 (1H, m), 7.88 - 7.95 (1H, m), 7.97 (1H, br s).

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