METHYL-2-METHYL-5-CARBOXYLICBENZOIC ACID Chemical Properties

Boiling point:

349.9±30.0 °C(Predicted)

Density 

1.243±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

4.00±0.10(Predicted)

Appearance

White to off-white Solid

Safety Information

HS Code 

2917399590

METHYL-2-METHYL-5-CARBOXYLICBENZOIC ACID Usage And Synthesis

Synthesis

Methyl 5-formyl-2-methylbenzoate (268 mg, 1.5 mmol) was used as starting material and dissolved in N,N-dimethylformamide (DMF, 5 mL). Subsequently, Oxone (1.110 g, 1.8 mmol) was added to the solution and the reaction mixture was stirred at room temperature for 18 hours. After completion of the reaction, the reaction mixture was diluted with ethyl acetate (EtOAc, 10 mL) followed by 0.5 M aqueous hydrochloric acid (20 mL). The organic phase was separated, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford the target product 3-(methoxycarbonyl)-4-methylbenzoic acid as an off-white powder (247 mg, 1% yield). The structure of the product was confirmed by 1H NMR (500 MHz, DMSO-d6): δ 8.38 (d, J = 1.8 Hz, 1H), 8.01 (dd, J = 7.9, 1.9 Hz, 1H), 7.48 (d, J = 8.0 Hz, 1H), 3.86 (s, 3H), 2.59 (s, 3H).

References

[1] Patent: WO2018/89433, 2018, A1. Location in patent: Paragraph 00317

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