Chemical Identity
Molecular Formula
C14H15BF3NO2
Molecular Weight
297.08 g/mol
Exact Mass
297.114793
PubChem CID
129959221
SMILES String
CC1(C)OB(c2cc(C#N)ccc2C(F)(F)F)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile is a sophisticated organic compound designed for research and development applications. It incorporates a highly versatile pinacol boronic ester moiety, which is widely utilized in palladium-catalyzed Suzuki-Miyaura cross-coupling reactions to form new carbon-carbon bonds. The presence of a trifluoromethyl group provides strong electron-withdrawing characteristics, which can influence the electronic properties and reactivity of the aromatic system, as well as enhance lipophilicity and metabolic stability in potential downstream applications. The...
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Read more catalog context
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile is a sophisticated organic compound designed for research and development applications. It incorporates a highly versatile pinacol boronic ester moiety, which is widely utilized in palladium-catalyzed Suzuki-Miyaura cross-coupling reactions to form new carbon-carbon bonds. The presence of a trifluoromethyl group provides strong electron-withdrawing characteristics, which can influence the electronic properties and reactivity of the aromatic system, as well as enhance lipophilicity and metabolic stability in potential downstream applications. The nitrile group offers another point for chemical transformation, such as hydrolysis to a carboxylic acid or reduction to an amine. This compound serves as a key intermediate for synthesizing complex aromatic systems, particularly in medicinal chemistry and materials science research.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline powder
Physical State
Solid
Melting Point
130.0 °C
Boiling Point
400.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
190.0 °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. 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. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. 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
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.