ChemicalBook--->CAS DataBase List--->1082745-50-3

1082745-50-3

1082745-50-3 Structure

1082745-50-3 Structure
IdentificationBack Directory
[Name]

5-aMino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxaMide
[CAS]

1082745-50-3
[Synonyms]

EOS-62038
5-Amino-1-(tetrahydro-2H-pyran-4-yl)
5-amino-1-(4-oxanyl)-4-pyrazolecarboxamide
5-Amino-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide
5-aMino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxaMide
1H-Pyrazole-4-carboxamide, 5-amino-1-(tetrahydro-2H-pyran-4-yl)-
5-AMino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid aMide
[Molecular Formula]

C9H14N4O2
[MDL Number]

MFCD12405839
[MOL File]

1082745-50-3.mol
[Molecular Weight]

210.23
Chemical PropertiesBack Directory
[Boiling point ]

453.4±45.0 °C(Predicted)
[density ]

1.57±0.1 g/cm3(Predicted)
[storage temp. ]

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

15.14±0.50(Predicted)
[Appearance]

light yellow solid
Questions And AnswerBack Directory
[Uses]

5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid amide is an amide organic compound that can be used as a pharmaceutical intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2922390090
Spectrum DetailBack Directory
[Spectrum Detail]

5-aMino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxaMide(1082745-50-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

1H-Pyrazole-4-carbonitrile, 5-amino-1-(tetrahydro-2H-pyran-4-yl)-

1082745-49-0

5-aMino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxaMide

1082745-50-3

General procedure for the synthesis of 5-amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile as 5-amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid amide: 5-amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile (<228 mmol, the crude product from the previous reaction) was dissolved in ethanol ( 300 mL) in a 35% aqueous hydrogen peroxide solution (100 mL) and concentrated ammonia (300 mL) were added sequentially. The reaction mixture was stirred at room temperature for 48 h. The reaction was subsequently quenched with saturated aqueous sodium thiosulfate solution (800 mL). Ethanol was removed by distillation under reduced pressure and the resulting solid was separated by filtration and washed with water (2 x 200 mL) and ether (2 x 150 mL) to afford 5-amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid amide (31 g, 147 mmol). The overall yield of the two-step reaction from the starting material to the target product was 64%.ESI-MS (M-H)-: 211 (calculated value C9H14N4O2: 210.1).

[References]

[1] Journal of Medicinal Chemistry, 2012, vol. 55, # 21, p. 9045 - 9054
[2] Patent: WO2014/131855, 2014, A1. Location in patent: Page/Page column 151
[3] Patent: WO2014/16789, 2014, A1. Location in patent: Page/Page column 21
[4] Patent: US2017/291901, 2017, A1. Location in patent: Paragraph 0168; 0169
[5] Patent: US2009/30003, 2009, A1. Location in patent: Page/Page column 36
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