3-CYANO-5-NITRO-BENZOIC ACID METHYL ESTER Chemical Properties

Melting point:

137-138 °C

Boiling point:

334.8±32.0 °C(Predicted)

Density 

1.39±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

crystals

color 

Colourless

Safety Information

HS Code 

2916399090

3-CYANO-5-NITRO-BENZOIC ACID METHYL ESTER Usage And Synthesis

Synthesis

Methyl 3-methyl-3-carbamoyl-5-nitrobenzoate (30 mmol) was used as a starting material and dissolved in 1,2-dichloroethane (100 mL). POCl3 (33 mmol) was added to this solution and the reaction mixture was subsequently heated to reflux for 3 hours. After completion of the reaction, it was cooled to room temperature and the reaction solution was slowly poured into water. The organic layer was separated and washed sequentially with saturated NaHCO3 solution and brine. The organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure to afford the target product methyl 3-cyano-5-nitrobenzoate in 90% yield.

References

[1] Patent: US2009/118292, 2009, A1. Location in patent: Page/Page column 29
[2] Patent: WO2011/137587, 2011, A1. Location in patent: Page/Page column 55

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