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

CAS 2377610-43-8Formula C14H17BFNO2MW 261.1PubChem 91658863

This compound is a fluorinated phenylacetonitrile derivative featuring a pinacol boronate ester. It is primarily intended for research and development applications, particularly as a versatile building block in organic synthesis, such as Suzuki-Miyaura coupling reactions.

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

Chemical Identity

Molecular Formula

C14H17BFNO2

Molecular Weight

261.1 g/mol

Exact Mass

261.133637

PubChem CID

91658863

IUPAC Name

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

SMILES String

CC1(C)OB(c2ccc(F)cc2CC#N)OC1(C)C

Names & Synonyms

897-937-82-Cyanomethyl-4-fluorophenylboronic acid, pinacol ester2-[5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrileG390882-Cyanomethyl-4-fluorophenylboronic Acid Pinacol Ester
Show all synonyms
Z2044783041
External Identifiers
RefChem:458823CVD61043MFCD18730490BS-33713CS-0176591EN300-7411392

Catalog Overview

2-(5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, identified by CAS 2377610-43-8, is a synthetic organic compound with the molecular formula C14H17BFNO2 and a molecular weight of 261. 10 g/mol. It incorporates a 5-fluoro-2-phenylacetonitrile core substituted with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This structure makes it a valuable intermediate in complex organic synthesis, especially for constructing aryl-aryl or aryl-heteroaryl bonds via cross-coupling reactions.

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Read more catalog context

2-(5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, identified by CAS 2377610-43-8, is a synthetic organic compound with the molecular formula C14H17BFNO2 and a molecular weight of 261.10 g/mol. It incorporates a 5-fluoro-2-phenylacetonitrile core substituted with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This structure makes it a valuable intermediate in complex organic synthesis, especially for constructing aryl-aryl or aryl-heteroaryl bonds via cross-coupling reactions. The presence of both a nitrile group and a fluorine atom offers additional avenues for further chemical modification and introduces specific electronic properties, making it relevant for medicinal chemistry and materials science research. This product is for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

47.0 °C

Boiling Point

313.0 °C

Density

1.25 g/cm³

Water Solubility

5.13 × 10⁻⁴ mol/L

Flash Point

165.0 °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 in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, chemical-resistant gloves, and a lab coat. Avoid inhalation, ingestion, and skin contact. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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