1-Methyl-1H-pyrazole-4-carbaldehyde Chemical Properties

Melting point:

29-34 °C

Boiling point:

60-62°C/0.08mm

Density 

1.14±0.1 g/cm3(Predicted)

Flash point:

>230 °F

storage temp. 

Inert atmosphere,2-8°C

pka

0.17±0.10(Predicted)

form 

powder to lump to clear liquid

color 

White or Colorless to Yellow to Orange

Sensitive 

Air Sensitive

InChI

InChI=1S/C5H6N2O/c1-7-3-5(4-8)2-6-7/h2-4H,1H3

InChIKey

MYFZXSOYJVWTBL-UHFFFAOYSA-N

SMILES

N1(C)C=C(C=O)C=N1

CAS DataBase Reference

25016-11-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

37/38-41-43

Safety Statements 

26-36/37/39

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29331990

MSDS

• Language:English Provider:SigmaAldrich

1-Methyl-1H-pyrazole-4-carbaldehyde Usage And Synthesis

Uses

1-Methyl-1H-pyrazole-4-carbaldehyde is a pharmaceutical intermediate used in the synthesis of the CHK1 inhibitor MK-8776.

Synthesis

Using cyclopropyl methyl ketone and dimethoxy-N, N-dimethylmethylamine as starting materials, the target product 1-Methyl-1H-pyrazole-4-carbaldehyde was obtained through aldol condensation, hydrazine condensation cyclization, selective methylation reaction and Vilsmeier-Hack reaction in sequence, with a total yield of up to 48.0%.

1-Methyl-1H-pyrazole-4-carbaldehyde(25016-11-9)Related Product Information

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• Methyl acrylate
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• Acetonitrile
• Basic Violet 1
• Paraquat dichloride
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• Methanol
• Methyl
• 4-ACETYL-5-METHYL-1-PHENYLPYRAZOLE
• 1-METHYL-5-NITRO-1H-PYRAZOLE-4-CARBOXYLIC ACID
• 5-AMINO-1-PHENYLPYRAZOLE-4-CARBOXAMIDE
• ETHYL 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
• 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde