1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE Chemical Properties

Boiling point:

221.0±13.0 °C(Predicted)

Density 

1.11±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

-0.17±0.10(Predicted)

Appearance

Off-white to yellow Solid

InChI

InChI=1S/C6H8N2O/c1-5(9)6-3-7-8(2)4-6/h3-4H,1-2H3

InChIKey

PINVCRAZGLSROU-UHFFFAOYSA-N

SMILES

C(=O)(C1=CN(C)N=C1)C

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2933199090

1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE Usage And Synthesis

Uses

1-(1-Methyl-1H-pyrazol-4-yl)ethanone can be used as anticancer agents.

Synthesis

3) 1-(1-methyl-1H-pyrazol-4-yl)ethanol (20.2 g) was dissolved in dichloromethane (202 mL) and cooled to 0 °C under argon protection. Subsequently, activated manganese (IV) oxide (<5 μm, 209 g) was added to this solution. The reaction mixture was stirred at room temperature for 14 hours. Upon completion of the reaction, solid impurities were removed by filtration and the filtrate was concentrated under reduced pressure to afford 1-(1-methyl-1H-pyrazol-4-yl)ethanone as a solid product (18.1 g, 91% yield). The product was characterized by 1H-NMR (400 MHz, CDCl3): δ 2.42 (3H, s), 3.94 (3H, s), 7.86 (1H, s), 7.89 (1H, s).ESI-MS m/z: 125 ([M + H]+).

References

[1] Patent: EP1762568, 2007, A1. Location in patent: Page/Page column 62

1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE(37687-18-6)Related Product Information

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