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696-22-0

696-22-0 Structure

696-22-0 Structure
IdentificationBack Directory
[Name]

3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
[CAS]

696-22-0
[Synonyms]

3-Methyl-5-pyrazolecarboxylic acid
Pyrazole-3-carboxylic acid, 5-methyl-
Pyrazole-5-carboxylic acid, 3-methyl-
3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
1H-Pyrazole-3-carboxylic acid, 5-Methyl-
5(or 3)-Methyl-pyrazole-3(or 5)-carboxylic Acid
5-Methyl-2H-pyrazole-3-carboxylic acid,hydrochloride
3-methyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
InChI=1/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9
[Molecular Formula]

C5H6N2O2
[MDL Number]

MFCD00462235
[MOL File]

696-22-0.mol
[Molecular Weight]

126.11
Chemical PropertiesBack Directory
[Melting point ]

236-240℃
[storage temp. ]

2-8°C
[Appearance]

White to off-white Solid
Hazard InformationBack Directory
[Definition]

ChEBI: 5-methyl-pyrazole-3-carboxylic acid is a memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It derives from a hydride of a 1H-pyrazole.
[Synthesis]

5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER

25016-17-5

3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

696-22-0

General procedure for the synthesis of 3-methyl-1H-pyrazole-5-carboxylic acid from methyl 5-methyl-1H-pyrazole-3-carboxylate: 75 ml of methanol solution of 10.1 g (71.8 mmol) of methyl 5-methyl-1H-pyrazole-3-carboxylate was added to the reaction flask and stirred until complete dissolution. Subsequently, 150 ml of an aqueous solution containing 4.4 g (110 mmol) of sodium hydroxide was slowly added. The reaction mixture was heated to 50°C and kept at this temperature for 2 hours. After completion of the reaction, the pH of the reaction solution was adjusted to 2 with 2 M hydrochloric acid solution, at which point a solid precipitated. The precipitate was collected by filtration and the filter cake was washed with an appropriate amount of water. Finally, the filter cake was dried to give a white solid product 3-methyl-1H-pyrazole-5-carboxylic acid in 99.8% yield.

[References]

[1] Patent: CN105669556, 2016, A. Location in patent: Paragraph 0083; 0084; 0085
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID(696-22-0)1HNMR
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