Description

3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid (CAS No. 512809-60-8) is a high-purity fluorinated pyrazole derivative with the molecular formula C₇H₆F₄N₂O₂. This compound, also known by its IUPAC name 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetic acid, is a versatile building block in organic synthesis and medicinal chemistry. Its unique structure features two difluoromethyl groups at the 3- and 5-positions of the pyrazole ring, enhancing its reactivity and potential applications in drug discovery and agrochemical development. The acetic acid moiety further expands its utility as a linker or functional handle for derivatization. This product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 512809-60-8
• Complexity: 239
• IUPAC Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetic acid
• InChI: InChI=1S/C7H6F4N2O2/c8-6(9)3-1-4(7(10)11)13(12-3)2-5(14)15/h1,6-7H,2H2,(H,14,15)
• InChI Key: TXIOULNLSCTYNR-UHFFFAOYSA-N
• Exact Mass: 226.03654009
• Molecular Formula: C7H6F4N2O2
• Molecular Weight: 226.13
• SMILES: C1=C(N(N=C1C(F)F)CC(=O)O)C(F)F
• Topological: 55.1
• Monoisotopic Mass: 226.03654009
• Synonyms: 512809-60-8, 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid, [3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetic acid, 2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetic acid, 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetic acid, MFCD03419711, 2-(3,5-bis(difluoromethyl)-1H-pyrazol-1-yl)acetic acid, (3,5-bis-difluoromethyl-pyrazol-1-yl)-acetic acid, 2-[3,5-bis(difluoromethyl)pyrazolyl]acetic acid, 3,5-Bis(difluoromethylpyrazol-1-yl)acetic acid, SCHEMBL30579, AK-968/41170093, 1H-pyrazole-1-acetic acid, 3,5-bis(difluoromethyl)-, DTXSID901235198, ALBB-022478, BBL038279, SBB020499, STK301631, AKOS000308219, FS-6362, DB-016371, DB-410422, CS-0217747, ST45061378, EN300-83601, G48523, [3,5-bis-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid, 2-(3,5-bis(difluoromethyl)-1H-pyrazol-1-yl)aceticacid

Application

3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid serves as a key intermediate in the synthesis of novel pharmaceutical compounds, particularly those targeting enzyme inhibition. Its fluorinated pyrazole core makes it valuable for developing agrochemicals with enhanced bioavailability and metabolic stability. Researchers utilize this compound in medicinal chemistry to create potential anticancer and anti-inflammatory agents. The difluoromethyl groups contribute to improved lipophilicity and membrane permeability in drug candidates. Additionally, it finds application in materials science for designing specialized fluorinated polymers with unique properties.

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