METHYL 3-CYANO-4-METHOXYBENZOATE Chemical Properties

Melting point:

124 °C

Boiling point:

339.7±27.0 °C(Predicted)

Density 

1.20±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

Appearance

White to yellow Solid

BRN 

2374769

InChI

InChI=1S/C10H9NO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,1-2H3

InChIKey

RYJSFYBJYKFNCF-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC=C(OC)C(C#N)=C1

CAS DataBase Reference

25978-74-9

Safety Information

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36/37/39

RIDADR 

3439

HazardClass 

6.1

PackingGroup 

III

HS Code 

2926907090

MSDS

• Language:English Provider:ALFA

METHYL 3-CYANO-4-METHOXYBENZOATE Usage And Synthesis

Uses

Methyl 3-Cyano-4-methoxybenzoate is a useful research chemical.

Synthesis

General procedure for the synthesis of methyl 3-cyano-4-methoxybenzoate from methyl 3-bromo-4-methoxybenzoate: to a solution of methyl 3-bromo-4-methoxybenzoate (1.1 g, 4.4 mmol) in dimethylformamide (10 mL) was added cuprous cyanide (1.2 g, 13.2 mmol). The reaction mixture was heated to 140 °C and maintained for 6 hours. After the reaction was completed, it was cooled to room temperature and diluted by adding ethyl acetate (25 mL). The organic phase was washed with saturated sodium chloride solution, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by fast column chromatography (eluent: petroleum ether/ethyl acetate=10:1) to afford methyl 3-cyano-4-methoxybenzoate (662 mg, 79% yield) as a white solid.

References

[1] Patent: CN106146504, 2016, A. Location in patent: Paragraph 0219; 0220; 0221; 0224; 0225

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