Description

1-Acetyl-3,5-bis(trifluoromethyl)pyrazole (CAS No. 244187-01-7) is a high-purity fluorinated pyrazole derivative with the molecular formula C₇H₄F₆N₂O. This compound features a pyrazole core substituted with two trifluoromethyl groups at the 3 and 5 positions and an acetyl group at the 1 position, enhancing its reactivity and utility in synthetic chemistry. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanone. With excellent thermal stability and solubility in organic solvents, it is ideal for advanced applications in pharmaceuticals, agrochemicals, and materials science. Available in >98% purity, it is supplied in rigorously tested packaging to ensure stability and longevity.

Properties

• CAS Number: 244187-01-7
• Complexity: 286
• IUPAC Name: 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C7H4F6N2O/c1-3(16)15-5(7(11,12)13)2-4(14-15)6(8,9)10/h2H,1H3
• InChI Key: NVCMVWSRHPQCLU-UHFFFAOYSA-N
• Exact Mass: 246.02278173
• Molecular Formula: C7H4F6N2O
• Molecular Weight: 246.11
• SMILES: CC(=O)N1C(=CC(=N1)C(F)(F)F)C(F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 246.02278173
• Synonyms: 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole, 244187-01-7, 1-acetyl-3,5-bis(trifluoromethyl)-1h-pyrazole, 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanone, 1-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one, 1-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one, MFCD00153613, DTXSID30370980, NVCMVWSRHPQCLU-UHFFFAOYSA-N, SBB100088, AKOS007930715, PS-7524, CS-0323896

Application

1-Acetyl-3,5-bis(trifluoromethyl)pyrazole is widely used as a versatile building block in medicinal chemistry for the synthesis of trifluoromethylated heterocycles, which are key motifs in drug discovery. It serves as a precursor for ligands and catalysts in asymmetric synthesis due to its electron-withdrawing trifluoromethyl groups. Researchers also employ it in the development of agrochemicals and specialty materials, leveraging its unique fluorinated structure to enhance metabolic stability and bioavailability.

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