ChemicalBook--->CAS DataBase List--->473528-88-0

473528-88-0

473528-88-0 Structure

473528-88-0 Structure
IdentificationBack Directory
[Name]

4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE
[CAS]

473528-88-0
[Synonyms]

AKOS B007395
ART-CHEM-BB B007395
4-Bromo-1-methylpyrazole-5-carbaldehyde
4-Bromo-2-methylpyrazole-3-carbaldehyde
4-BROMO-1-METHYLPYRAZOLE-5-CARBOXALDEHYDE
4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE
4-BROMO-2-METHYL-2 H-PYRAZOLE-3-CARBALDEHYDE
4-BroMo-1-Methyl-1H-pyrazole-5-carboxaldehyde, 97%
[Molecular Formula]

C5H5BrN2O
[MDL Number]

MFCD03074341
[MOL File]

473528-88-0.mol
[Molecular Weight]

189.01
Chemical PropertiesBack Directory
[Melting point ]

102-103°C
[Boiling point ]

275.2±20.0 °C(Predicted)
[density ]

1.73±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-1.48±0.10(Predicted)
[Sensitive ]

Air Sensitive
[CAS DataBase Reference]

473528-88-0
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HS Code ]

2933119000
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE(473528-88-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-Methyl-1H-pyrazole-5-carbaldehyde

27258-33-9

4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBALDEHYDE

473528-88-0

General procedure for the synthesis of 1-methylpyrazole-5-carboxaldehyde using 1-methyl-1H-pyrazole-5-carboxaldehyde as starting material: a solution of N,N-dimethylformamide (DMF, 5 mL) of N-bromosuccinimide (NBS, 1.62 g, 9.09 mmol) was slowly added dropwise to a solution of 1-methyl-1H-pyrazole-5-carboxaldehyde (1.0 g, 9.09 mmol) solution in DMF (8 mL). The reaction mixture was stirred at room temperature overnight. Subsequently, 1N sodium hydroxide solution (9.1 mL) was added and stirring was continued for 10 min. The reaction solution was diluted with water (100 mL) and extracted with ethyl acetate (EtOAc, 30 mL x 3). The organic phases were combined, dried with anhydrous magnesium sulfate (MgSO4), filtered and concentrated to give an orange solid product (1.57 g, 92% yield). Liquid phase mass spectrometry (LRMS) detection showed m/z (M+H) of 187.9 and the measured value was 188.0.

[References]

[1] Patent: WO2014/81619, 2014, A1. Location in patent: Page/Page column 47
[2] Chemistry - A European Journal, 2018, vol. 24, # 38, p. 9530 - 9534
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