Description

1-[3-(Difluoromethyl)-5-phenylpyrazol-1-yl]ethanone (CAS No. 507485-96-3) is a high-purity organic compound with the molecular formula C₁₂H₁₀F₂N₂O, designed for advanced research and industrial applications. This pyrazole derivative features a difluoromethyl group and a phenyl ring, offering unique reactivity and potential as a building block in medicinal chemistry, agrochemical synthesis, and material science. Its well-defined structure makes it ideal for cross-coupling reactions, heterocyclic modifications, and as a precursor for bioactive molecules. Available in various quantities with guaranteed purity (typically ≥95% by HPLC or GC analysis), this compound is supplied with comprehensive analytical data, including ¹H NMR, ¹³C NMR, and mass spectrometry reports. Proper storage under inert conditions (2-8°C, desiccated) ensures long-term stability.

Properties

• CAS Number: 507485-96-3
• Complexity: 280
• IUPAC Name: 1-[3-(difluoromethyl)-5-phenyl-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C12H10F2N2O/c1-8(17)16-11(7-10(15-16)12(13)14)9-5-3-2-4-6-9/h2-7,12H,1H3
• InChI Key: IHARCUHUBIUWPX-UHFFFAOYSA-N
• Exact Mass: 236.07611927
• Molecular Formula: C12H10F2N2O
• Molecular Weight: 236.22
• SMILES: CC(=O)N1C(=CC(=N1)C(F)F)C2=CC=CC=C2
• Topological: 34.9
• Monoisotopic Mass: 236.07611927
• Synonyms: 507485-96-3, 1-Acetyl-3(5)-difluoromethyl-5(3)-phenylpyrazole, 1-[3-(difluoromethyl)-5-phenylpyrazol-1-yl]ethanone, 1-Acetyl-3-difluoromethyl-5-phenylpyrazole, 1-(3-(Difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)ethanone, SBB098571, AKOS007930780, 1-acetyl-3-(difluoromethyl)-5-phenylpyrazole, 1-Acetyl-5(3)-difluoromethyl-5(3)-phenylpyrazole, 1-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]ethan-1-one

Application

This compound serves as a versatile intermediate in pharmaceutical research, particularly in the development of kinase inhibitors and anti-inflammatory agents. Its difluoromethyl group enhances metabolic stability, making it valuable for drug discovery. In agrochemical applications, it acts as a precursor for novel pesticides and herbicides. Researchers also utilize it in materials science for designing fluorinated polymers with tailored properties.

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