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89179-62-4

89179-62-4 Structure

89179-62-4 Structure
IdentificationBack Directory
[Name]

1-Methyl-1H-pyrazole-3-carboxamide
[CAS]

89179-62-4
[Synonyms]

MFCD00464006
1-methyl-3-pyrazolecarboxamide
1-methylpyrazole-3-carboxamide
1-Methyl-1H-pyrazole-3-carboxamide
1H-Pyrazole-3-carboxamide, 1-methyl-
1-Methyl-1H-pyrazole-3-carboxylic acid amide
[Molecular Formula]

C5H7N3O
[MDL Number]

MFCD00464006
[MOL File]

89179-62-4.mol
[Molecular Weight]

125.13
Chemical PropertiesBack Directory
[Melting point ]

139-141 °C
[Boiling point ]

349.3±15.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

15.73±0.50(Predicted)
[Appearance]

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


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2933199090
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methyl-1H-pyrazole-3-carboxamide(89179-62-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-Methyl-1H-pyrazole-3-carboxylic acid

25016-20-0

1-Methyl-1H-pyrazole-3-carboxamide

89179-62-4

Step 3: To a solution of dichloromethane (50 mL) of the intermediate (6.0 g, 47.6 mmol) obtained in Step 2 was slowly added oxalyl chloride (6.12 mL, 71.4 mmol) and a catalytic amount of N,N-dimethylformamide (0.5 mL) at 0 °C. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure and the resulting residue was redissolved in dichloromethane. Ammonia was passed into the solution for 30 min at 0°C. Subsequently, the reaction mixture was concentrated again under reduced pressure and the residue was suspended in tetrahydrofuran (50 mL) and filtered. The filtrate was concentrated under reduced pressure to afford the target product 1-methyl-1H-pyrazole-3-carboxamide (3.5 g, 59% yield).LC-MS (Method 3): m/z [M + H]+ = 126 (theoretical molecular weight = 125.13); retention time R = 0.76 min.

[References]

[1] Patent: WO2015/22073, 2015, A1. Location in patent: Page/Page column 90; 91
[2] Patent: WO2014/139150, 2014, A1
[3] Patent: WO2014/150114, 2014, A1
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