Description

2-Difluoromethanesulfonylpyridine (CAS No. 1219454-89-3) is a high-purity sulfonylpyridine derivative with the molecular formula C₆H₅F₂NO₂S. This compound, also known by its IUPAC name 2-(difluoromethylsulfonyl)pyridine, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring a difluoromethylsulfonyl group attached to a pyridine ring, makes it valuable for introducing sulfone functionalities into target molecules. The product is supplied as a white to off-white crystalline solid with a purity of ≥95% (HPLC). It is stable under recommended storage conditions (2-8°C in a tightly sealed container) and should be protected from moisture. This reagent is particularly useful in nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for bioactive molecule synthesis. Researchers should handle this compound with appropriate personal protective equipment in a well-ventilated environment.

Properties

• CAS Number: 1219454-89-3
• Complexity: 234
• IUPAC Name: 2-(difluoromethylsulfonyl)pyridine
• InChI: InChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-3-1-2-4-9-5/h1-4,6H
• InChI Key: YRQNSTAWTLXCEZ-UHFFFAOYSA-N
• Exact Mass: 193.00090590
• Molecular Formula: C6H5F2NO2S
• Molecular Weight: 193.17
• SMILES: C1=CC=NC(=C1)S(=O)(=O)C(F)F
• Topological: 55.4
• Monoisotopic Mass: 193.00090590
• Synonyms: 2-DIFLUOROMETHANESULFONYLPYRIDINE, 802-388-4, 1219454-89-3, 2-((Difluoromethyl)sulfonyl)pyridine, 2-[(Difluoromethyl)sulfonyl]pyridine, Difluoromethyl 2-Pyridyl Sulfone, 2-(DIFLUOROMETHYLSULFONYL)PYRIDINE, Pyridine, 2-[(difluoroMethyl)sulfonyl]-, MFCD17010193, Difluoromethyl 2-Pyridyl Sulfone;, Difluoromethyl-2-PyridylSulfone, (difluoromethylsulfonyl)pyridine, SCHEMBL18322824, DTXSID30673044, YRQNSTAWTLXCEZ-UHFFFAOYSA-N, 2-(Difluoromethanesulfonyl)pyridine, AKOS015913806, MB69437, SY044741, DB-344036, D5390, Difluoromethyl 2-pyridyl sulfone, 97% (HPLC), EN300-205457, T70151, Z1255502030, Difluoromethyl 2-pyridyl sulfone;2-(Difluoromethylsulfonyl)pyridine;

Application

2-Difluoromethanesulfonylpyridine serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those requiring sulfonyl or pyridine moieties. It is utilized in medicinal chemistry for the development of potential drug candidates, especially in kinase inhibitor research. The compound’s difluoromethylsulfonyl group makes it valuable for creating metabolically stable analogs in drug discovery programs. Additionally, it finds application in materials science for the preparation of specialty chemicals with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (95.1%)
• Eye Irrit. 2 (100%)

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