Chemical Identity
Molecular Formula
C13H17BF3NO2
Molecular Weight
287.09 g/mol
Exact Mass
287.130443
PubChem CID
131697690
SMILES String
Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(F)(F)F
Names & Synonyms
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External Identifiers
Catalog Overview
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine, identified by CAS 2121511-95-1, is a sophisticated organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287. 09 g/mol. It incorporates a trifluoromethyl group, a methyl group, and a pinacol boronic ester moiety on a pyridine core. The pinacol boronic ester functionality makes it highly reactive in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine, identified by CAS 2121511-95-1, is a sophisticated organic compound with the molecular formula C13H17BF3NO2 and a molecular weight of 287.09 g/mol. It incorporates a trifluoromethyl group, a methyl group, and a pinacol boronic ester moiety on a pyridine core. The pinacol boronic ester functionality makes it highly reactive in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group often imparts unique electronic properties and metabolic stability to target molecules, making this compound valuable in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. It serves as a key intermediate for introducing substituted pyridine rings into more complex molecular architectures for research purposes.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
123.0 °C
Boiling Point
282.0 °C
Density
1.3 g/cm³
Water Solubility
1.32 × 10⁻⁴ mol/L
Flash Point
165.0 °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 under a fume hood to avoid inhalation of dust or vapors. 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 comprehensive safety information before use in a research setting.
Related Products / Graph Discovery
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