| Identification | Back Directory | [Name]
1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE | [CAS]
37687-18-6 | [Synonyms]
AKOS B007418
AKOS PAO-0384
ART-CHEM-BB B007418
1-(1-methyl-4-pyrazoly
1-(1-methyl-4-pyrazolyl)ethanone
1-(1-methylpyrazol-4-yl)ethanone
1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one
Ethanone, 1-(1-Methyl-1H-pyrazol-4-yl)-
1-(1-methyl-1H-pyrazol-4-yl)-1-ethanone
1-(1-METHYL-1H-PYRAZOL-4-YL)ETHANONE(WXC08614)
1-(1-methyl-1H-pyrazol-4-yl)ethanone(SALTDATA: FREE) | [Molecular Formula]
C6H8N2O | [MDL Number]
MFCD00159640 | [MOL File]
37687-18-6.mol | [Molecular Weight]
124.14 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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