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

CAS 1818210-26-2Formula C16H21BFNO2MW 289.2PubChem 140694035

2-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2-methylpropanenitrile is a fluorinated phenylboronic acid pinacol ester derivative, featuring a nitrile group. It serves as a versatile building block in organic synthesis, particularly for cross-coupling reactions.

Loading RDKit molecule structure...
InChIKey: BJVMJCFFFIYJMQ-UHFFFAOYSA-NC16H21BFNO2 | MW 289.2

Chemical Identity

Molecular Formula

C16H21BFNO2

Molecular Weight

289.2 g/mol

Exact Mass

289.164937

PubChem CID

140694035

IUPAC Name

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

SMILES String

CC(C)(C#N)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1

Names & Synonyms

C16H21BFNO2G685012-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methyl-propanenitrile
External Identifiers
SCHEMBL17159524MFCD34706252

Catalog Overview

This compound, with CAS 1818210-26-2 and molecular formula C16H21BFNO2, is characterized by a phenyl ring substituted with a fluorine atom, a boronic acid pinacol ester, and a 2-methylpropanenitrile group. The boronic ester moiety makes it highly valuable for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of fluorine can introduce specific electronic and steric properties, while the nitrile group offers further opportunities for derivatization or as a synthetic handle. It is primarily utilized as a research-use chemical intermediate in the development of complex organic...

Use Context

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

This compound, with CAS 1818210-26-2 and molecular formula C16H21BFNO2, is characterized by a phenyl ring substituted with a fluorine atom, a boronic acid pinacol ester, and a 2-methylpropanenitrile group. The boronic ester moiety makes it highly valuable for Suzuki-Miyaura cross-coupling reactions, enabling the formation of new carbon-carbon bonds. The presence of fluorine can introduce specific electronic and steric properties, while the nitrile group offers further opportunities for derivatization or as a synthetic handle. It is primarily utilized as a research-use chemical intermediate in the development of complex organic molecules.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

95.0 °C

Boiling Point

350.0 °C

Density

1.15 g/cm³

Water Solubility

Insoluble

Flash Point

180.0 °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 fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse thoroughly with water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for detailed safety information before use.

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.