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

CAS 1220219-51-1Formula C14H17BFNO2MW 261.1PubChem 59535051

This compound is a fluorinated benzeneacetonitrile derivative featuring a pinacol boronic ester group. It serves as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the introduction of a cyanomethyl-fluorophenyl moiety. It is intended for research use only.

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

Chemical Identity

Molecular Formula

C14H17BFNO2

Molecular Weight

261.1 g/mol

Exact Mass

261.133637

PubChem CID

59535051

IUPAC Name

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

SMILES String

CC1(C)OB(c2ccc(F)c(CC#N)c2)OC1(C)C

Names & Synonyms

2-(2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile100-661-63-Cyanomethyl-4-fluorobenzeneboronic acid pinacol ester2-[2-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrileG46489
Show all synonyms
F7585043-Cyanomethyl-4-fluorophenylboronic acid pinacol ester[2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
External Identifiers
DTXSID801142681RefChem:472436DTXCID901574289SCHEMBL12327386VYB21951CS-0369273EN300-12607521

Catalog Overview

2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile, with CAS number 1220219-51-1, is a meticulously synthesized organic compound designed for advanced chemical research. Its structure incorporates a 2-fluoro-5-cyanomethylphenyl core, functionalized with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronic ester) group. This unique combination makes it a highly valuable intermediate in the synthesis of complex molecules. The pinacol boronic ester group is particularly useful for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, allowing for the formation of new...

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Read more catalog context

2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile, with CAS number 1220219-51-1, is a meticulously synthesized organic compound designed for advanced chemical research. Its structure incorporates a 2-fluoro-5-cyanomethylphenyl core, functionalized with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronic ester) group. This unique combination makes it a highly valuable intermediate in the synthesis of complex molecules. The pinacol boronic ester group is particularly useful for palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, allowing for the formation of new carbon-carbon bonds with high efficiency and selectivity. The presence of a fluorine atom and a nitrile group further expands its synthetic utility, offering opportunities for diverse chemical transformations and the creation of novel compounds with potential applications in medicinal chemistry, materials science, and agrochemicals. This product is strictly for research and development purposes.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline 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 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. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. This chemical is for research use only and not for human or animal therapeutic or diagnostic use.

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