ChemicalBook--->CAS DataBase List--->126674-95-1

126674-95-1

126674-95-1 Structure

126674-95-1 Structure
IdentificationBack Directory
[Name]

1H-Pyrazole-5-carboxylicacid,3-methoxy-1-methyl-(9CI)
[CAS]

126674-95-1
[Synonyms]

1-Methyl-3-methoxypyrazole-5-carboxylic acid
5-methoxy-2-methylpyrazole-3-carboxylic Acid
3-Methoxy-1-Methyl-1H-pyrazole-5-carboxylic acid
1H-PYRAZOLE-5-CARBOXYLIC ACID, 3-METHOXY-1-METHYL-
1H-Pyrazole-5-carboxylicacid,3-methoxy-1-methyl-(9CI)
[Molecular Formula]

C6H8N2O3
[MOL File]

126674-95-1.mol
[Molecular Weight]

156.14
Chemical PropertiesBack Directory
[Boiling point ]

343.4±22.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

2.90±0.25(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H302-H319-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Pyrazole-5-carboxylicacid,3-methoxy-1-methyl-(9CI)(126674-95-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

methyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate

55781-86-7

1H-Pyrazole-5-carboxylicacid,3-methoxy-1-methyl-(9CI)

126674-95-1

The general procedure for the synthesis of 3-methoxy-1-methyl-1H-pyrazole-5-carboxylic acid from methyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate was as follows: to a solution of methanol (5 mL) containing methyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate (220.7 mg, 1.30 mmol) was added 1 M aqueous sodium hydroxide (1.30 mL, 1.30 mmol). The reaction mixture was stirred at room temperature for 5 hours. Upon completion of the reaction, the methanol was removed by concentration under reduced pressure, and the pH was adjusted to acidic with 1 M hydrochloric acid solution, followed by extraction with ethyl acetate (3 × 10 mL). The organic layers were combined, washed with saturated aqueous sodium chloride solution (10 mL) and dried over anhydrous magnesium sulfate. After filtration, the filtrate was concentrated under reduced pressure to give the title compound 3-methoxy-1-methyl-1H-pyrazole-5-carboxylic acid (163 mg, 80% yield) as a white solid. Mass spectrum (ESI-): m/z 155 [M-H]-. 1H NMR (300 MHz, DMSO-d6) δ 3.77 (3H, s), 3.92 (3H, s), 6.20 (1H, s), 13.38 (1H, br s).

[References]

[1] Patent: EP2530078, 2012, A1. Location in patent: Page/Page column 209-210
[2] Patent: US2009/137595, 2009, A1
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