ChemicalBook--->CAS DataBase List--->167300-06-3

167300-06-3

167300-06-3 Structure

167300-06-3 Structure
IdentificationBack Directory
[Name]

METHYL-2-METHYL-5-CARBOXYLICBENZOIC ACID
[CAS]

167300-06-3
[Synonyms]

3-(Methoxycarbonyl)
METHY-2-METHYL-5-CARBOXYLICBENZOIC ACID
3-(Methoxycarbonyl)-4-Methylbenzoic acid
METHYL-2-METHYL-5-CARBOXYLICBENZOIC ACID
4-METHYL-3-(METHOXYCARBONYL)BENZOIC ACID
1,3-Benzenedicarboxylic acid, 4-methyl-, 3-methyl ester
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD03265441
[MOL File]

167300-06-3.mol
[Molecular Weight]

194.18
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2917399590
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL-2-METHYL-5-CARBOXYLICBENZOIC ACID(167300-06-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 5-formyl-2-methylbenzoate

675148-96-6

METHYL-2-METHYL-5-CARBOXYLICBENZOIC ACID

167300-06-3

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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