Chemical Identity
Molecular Formula
C16H19BFNO2
Molecular Weight
287.1 g/mol
Exact Mass
287.149287
PubChem CID
142362461
IUPAC Name
1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile
SMILES String
CC1(C)OB(c2ccc(C3(C#N)CC3)c(F)c2)OC1(C)C
Names & Synonyms
External Identifiers
Catalog Overview
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carbonitrile is a complex organic compound characterized by a cyclopropane ring substituted with a nitrile group, a fluorinated phenyl moiety, and a pinacol boronic ester. This trifunctional structure makes it a valuable intermediate in the synthesis of diverse organic molecules, particularly in pharmaceutical and agrochemical research. The boronic ester group is highly reactive in cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The fluorine atom and cyclopropane-carbonitrile group...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carbonitrile is a complex organic compound characterized by a cyclopropane ring substituted with a nitrile group, a fluorinated phenyl moiety, and a pinacol boronic ester. This trifunctional structure makes it a valuable intermediate in the synthesis of diverse organic molecules, particularly in pharmaceutical and agrochemical research. The boronic ester group is highly reactive in cross-coupling reactions, such as Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The fluorine atom and cyclopropane-carbonitrile group introduce specific steric and electronic properties that can be advantageous in drug discovery and material science applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
48.0 °C
Boiling Point
306.0 °C
Density
1.25 g/cm³
Water Solubility
7.59 × 10⁻⁵ 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. Do not ingest. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.
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.