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1-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carbonitrile

CAS 2227365-42-4Formula C16H19BFNO2MW 287.1PubChem 142362461

A fluorinated cyclopropane-1-carbonitrile derivative featuring a pinacol boronic ester, primarily used as a versatile building block in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: KMZYGWAXVCIZFQ-UHFFFAOYSA-NC16H19BFNO2 | MW 287.1

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

861-714-31-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile
External Identifiers
RefChem:421994SCHEMBL20203990EN300-20786157

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

Estimated

Estimated / 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

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary 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.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.