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2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

CAS 1637543-22-6Formula C14H17BFNO2MW 261.1PubChem 100913436

This compound is a fluorinated phenylacetonitrile derivative featuring a boronic acid pinacol ester group. It serves as a versatile building block in organic synthesis, particularly for constructing complex molecules via Suzuki-Miyaura cross-coupling reactions.

Loading RDKit molecule structure...
InChIKey: XPHLMDUDMYOYHY-UHFFFAOYSA-NC14H17BFNO2 | MW 261.1

Chemical Identity

Molecular Formula

C14H17BFNO2

Molecular Weight

261.1 g/mol

Exact Mass

261.133637

PubChem CID

100913436

IUPAC Name

2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

SMILES String

CC1(C)OB(c2cc(CC#N)ccc2F)OC1(C)C

Names & Synonyms

2-(4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile5-Cyanomethyl-2-fluorobenzeneboronic acid pinacol esterXPHLMDUDMYOYHY-UHFFFAOYSA-NG414985-Cyanomethyl-2-fluorophenylboronic acid pinacol ester
Show all synonyms
[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
External Identifiers
SCHEMBL16235408MQC54322CS-0369150EN300-12595034

Catalog Overview

2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile is a meticulously synthesized organic compound with the chemical formula C14H17BFNO2 and a molecular weight of 261. 10 g/mol. It incorporates a fluorinated phenyl ring, an acetonitrile group, and a boronic acid pinacol ester (Bpin) moiety. The Bpin group is highly valued in synthetic chemistry for its stability and reactivity in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile is a meticulously synthesized organic compound with the chemical formula C14H17BFNO2 and a molecular weight of 261.10 g/mol. It incorporates a fluorinated phenyl ring, an acetonitrile group, and a boronic acid pinacol ester (Bpin) moiety. The Bpin group is highly valued in synthetic chemistry for its stability and reactivity in palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling. The presence of fluorine can impart unique electronic and steric properties, influencing reaction selectivity and the biological activity of derived compounds. This makes it a valuable intermediate for researchers engaged in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

115.0 °C

Boiling Point

320.0 °C

Density

1.15 g/cm³

Water Solubility

Insoluble

Flash Point

185.0 °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 2-[4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, wash thoroughly with soap and water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and handling precautions.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

1256358-94-7CAS 1256358-94-7

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29269090GHS 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.