Chemical Identity
Molecular Formula
C12H14BClF3NO2
Molecular Weight
307.5 g/mol
Exact Mass
307.075821
PubChem CID
70700256
SMILES String
CC1(C)OB(c2cnc(Cl)c(C(F)(F)F)c2)OC1(C)C
Names & Synonyms
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External Identifiers
Catalog Overview
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine, with CAS 741709-67-1, is a highly functionalized pyridine derivative. Its structure incorporates a 2-chloro-3-(trifluoromethyl)pyridine moiety and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group at the 5-position. This combination makes it a valuable intermediate in synthetic organic chemistry. The pinacol boronate group is a robust and widely utilized functionality for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds.
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Read more catalog context
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine, with CAS 741709-67-1, is a highly functionalized pyridine derivative. Its structure incorporates a 2-chloro-3-(trifluoromethyl)pyridine moiety and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group at the 5-position. This combination makes it a valuable intermediate in synthetic organic chemistry. The pinacol boronate group is a robust and widely utilized functionality for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The trifluoromethyl group is known for its electron-withdrawing properties and metabolic stability, often incorporated into pharmaceuticals and agrochemicals to modulate physicochemical properties. The chlorine atom provides another site for further functionalization or substitution reactions. This compound is typically employed in the synthesis of complex heterocyclic compounds, natural product analogs, and potential pharmaceutical candidates for research use.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
137.0 °C
Boiling Point
264.0 °C
Density
1.4 g/cm³
Water Solubility
4.17 × 10⁻⁴ mol/L
Flash Point
175.0 °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. 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.
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