ChemicalBook--->CAS DataBase List--->637336-53-9

637336-53-9

637336-53-9 Structure

637336-53-9 Structure
IdentificationBack Directory
[Name]

1H-Pyrazole-3-carboxylicacid,4-amino-1-methyl-,methylester(9CI)
[CAS]

637336-53-9
[Synonyms]

Methyl 4-Amino-1-methylpyrazole-3-carboxylate
Methyl 4-aMino-1-Methyl-1h-pyrazole-3-carboxylate
1-Methyl-4-amino-1H-pyrazol-3-carboxylic acid methyl ester
methyl 4-amino-1-methyl-2,3-dihydro-1H-pyrazole-3-carboxylate
1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-, methyl ester
1H-Pyrazole-3-carboxylicacid,4-amino-1-methyl-,methylester(9CI)
[Molecular Formula]

C6H9N3O2
[MDL Number]

MFCD04969986
[MOL File]

637336-53-9.mol
[Molecular Weight]

155.15
Chemical PropertiesBack Directory
[Melting point ]

99-104 °C(Solv: cyclohexane (110-82-7))
[Boiling point ]

288.6±20.0 °C(Predicted)
[density ]

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

Keep in dark place,Sealed in dry,2-8°C
[pka]

1.28±0.10(Predicted)
[Appearance]

Off-white to light brown Solid
[InChI]

InChI=1S/C6H9N3O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,7H2,1-2H3
[InChIKey]

UBOGPSNFKMAOPP-UHFFFAOYSA-N
[SMILES]

N1(C)C=C(N)C(C(OC)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2933199090
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Pyrazole-3-carboxylicacid,4-amino-1-methyl-,methylester(9CI)(637336-53-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate

400877-57-8

1H-Pyrazole-3-carboxylicacid,4-amino-1-methyl-,methylester(9CI)

637336-53-9

General procedure for the synthesis of methyl 1-methyl-4-aminopyrazole-3-carboxylate from ethyl 1-methyl-4-nitropyrazole-3-carboxylate: a mixture of methyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate (500 mg, 2.7 mmol) and 10% palladium carbon (50 mg) in methanol (25 mL) was placed in a Parr reactor at 60 psi of hydrogen pressure for 24 hours. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad and washed with methanol. The filtrate was concentrated under reduced pressure to afford methyl 1-methyl-4-amino-1H-pyrazole-3-carboxylate (402 mg, 96% yield) as an off-white solid.

[References]

[1] Patent: US2004/14766, 2004, A1
[2] Patent: WO2003/106459, 2003, A1. Location in patent: Page 162
[3] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 10, p. 979 - 984
[4] Patent: US2010/63106, 2010, A1. Location in patent: Page/Page column 11
[5] Patent: WO2017/15449, 2017, A1. Location in patent: Page/Page column 157
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