Chemical Identity
Molecular Formula
C12H15BF3NO2
Molecular Weight
273.06 g/mol
Exact Mass
273.114793
PubChem CID
45598120
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
SMILES String
CC1(C)OB(c2ccc(C(F)(F)F)nc2)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-Trifluoromethylpyridine-5-boronic acid pinacol ester, with CAS 1218790-39-6, is a valuable research-use chemical intermediate. It consists of a pyridine core substituted with a trifluoromethyl group at the 2-position and a pinacol boronic ester at the 5-position. The trifluoromethyl group is known for its electron-withdrawing properties and ability to enhance the lipophilicity and metabolic stability of compounds, making this moiety desirable in medicinal chemistry. The pinacol boronic ester functionality is a robust and widely utilized group for carbon-carbon bond formation, most notably through palladium-catalyzed...
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Read more catalog context
2-Trifluoromethylpyridine-5-boronic acid pinacol ester, with CAS 1218790-39-6, is a valuable research-use chemical intermediate. It consists of a pyridine core substituted with a trifluoromethyl group at the 2-position and a pinacol boronic ester at the 5-position. The trifluoromethyl group is known for its electron-withdrawing properties and ability to enhance the lipophilicity and metabolic stability of compounds, making this moiety desirable in medicinal chemistry. The pinacol boronic ester functionality is a robust and widely utilized group for carbon-carbon bond formation, most notably through palladium-catalyzed Suzuki-Miyaura cross-coupling reactions. This compound serves as a key reagent for synthesizing complex organic molecules, including potential pharmaceutical candidates and materials, by enabling the facile introduction of the 2-trifluoromethylpyridin-5-yl unit.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
white solid
Physical State
solid
Melting Point
86.0 °C
Boiling Point
262.0 °C
Density
1.3 g/cm³
Water Solubility
9.33 × 10⁻⁴ mol/L
Flash Point
120.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. For research use only.
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