Chemical Identity
Molecular Formula
C13H14BF3N2O2
Molecular Weight
298.07 g/mol
Exact Mass
298.110042
PubChem CID
142754683
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILES String
CC1(C)OB(c2cnc(C#N)c(C(F)(F)F)c2)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
This research-use chemical, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)picolinonitrile, is a highly functionalized intermediate. It combines a picolinonitrile core, a trifluoromethyl group, and a pinacol boronate ester. The boronate ester moiety is crucial for cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, often enhancing chemical stability, lipophilicity, and biological activity in target molecules.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
This research-use chemical, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)picolinonitrile, is a highly functionalized intermediate. It combines a picolinonitrile core, a trifluoromethyl group, and a pinacol boronate ester. The boronate ester moiety is crucial for cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group introduces unique electronic and steric properties, often enhancing chemical stability, lipophilicity, and biological activity in target molecules. The picolinonitrile unit provides a nitrogen-containing heterocycle with a nitrile functionality, offering further synthetic handles for diverse chemical transformations. This compound is valuable for researchers engaged in the synthesis of novel pharmaceuticals, agrochemicals, and advanced materials.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
125.0 °C
Boiling Point
380.0 °C
Density
1.3 g/cm³
Water Solubility
Insoluble
Flash Point
195.0 °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 (PPE), including gloves, eye protection, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Prevent skin and eye contact. Do not ingest. Always consult the Safety Data Sheet (SDS) for comprehensive safety information, handling procedures, and emergency measures. Store in a cool, dry place, away from incompatible materials.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related CAS / Similar Products
Similar products (text references)
Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
Compliance cues are non-linked reference tags and require shipment review.