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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...

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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

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