Chemical Identity
Molecular Formula
C13H14BF3N2O2
Molecular Weight
298.07 g/mol
Exact Mass
298.110042
PubChem CID
133550577
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILES String
CC1(C)OB(c2cc(C(F)(F)F)ncc2C#N)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile, identified by CAS 2223042-76-8, is a meticulously designed organic intermediate. It incorporates a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group at the 4-position and a trifluoromethyl group at the 6-position of a pyridine-3-carbonitrile core. This unique combination of functional groups renders it highly valuable in various synthetic methodologies, particularly in Suzuki-Miyaura cross-coupling reactions for constructing complex molecular architectures. Its trifluoromethyl moiety can impart specific electronic and steric...
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Read more catalog context
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile, identified by CAS 2223042-76-8, is a meticulously designed organic intermediate. It incorporates a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group at the 4-position and a trifluoromethyl group at the 6-position of a pyridine-3-carbonitrile core. This unique combination of functional groups renders it highly valuable in various synthetic methodologies, particularly in Suzuki-Miyaura cross-coupling reactions for constructing complex molecular architectures. Its trifluoromethyl moiety can impart specific electronic and steric properties to target molecules, while the boronate ester serves as a robust handle for C-C bond formation. This compound is intended for research and development purposes only.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White solid
Physical State
Solid
Melting Point
140.0 °C
Boiling Point
350.0 °C
Density
1.3 g/cm³
Water Solubility
Insoluble
Flash Point
170.0 °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 safety information before use.
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Related CAS / Similar Products
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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.