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

CAS 870238-67-8Formula C13H15BFNO2MW 247.07PubChem 51350951

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a fluorinated benzonitrile derivative featuring a pinacol boronate ester group. It is primarily used as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions to introduce fluorinated aryl groups in the synthesis of complex organic molecules for research purposes.

Loading RDKit molecule structure...
InChIKey: DMJGKVYFBOCENL-UHFFFAOYSA-NC13H15BFNO2 | MW 247.07

Chemical Identity

Molecular Formula

C13H15BFNO2

Molecular Weight

247.07 g/mol

Exact Mass

247.117987

PubChem CID

51350951

SMILES String

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

Names & Synonyms

4-CYANO-3-FLUOROPHENYLBORONIC ACID PINACOL ESTERBenzonitrile, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-DMJGKVYFBOCENL-UHFFFAOYSA-N2-(4-Cyano-3-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneA10716
Show all synonyms
F053853Z20448097472-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
External Identifiers
DTXSID70679909RefChem:260905DTXCID90630658MFCD16996321SCHEMBL751210SCHEMBL30376230AKOS022168309AS-2844MB20486AC-30133SY035052DB-330320CS-0028289EN300-7414725

Catalog Overview

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 870238-67-8, is a valuable research chemical classified as a functionalized intermediate. It combines a fluorinated benzonitrile core with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This boronate ester functionality makes it highly reactive in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The presence of both a fluorine atom and a nitrile group on the benzene ring provides additional synthetic handles and can influence the...

Use Context

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

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile, with CAS 870238-67-8, is a valuable research chemical classified as a functionalized intermediate. It combines a fluorinated benzonitrile core with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This boronate ester functionality makes it highly reactive in various palladium-catalyzed cross-coupling reactions, such as the Suzuki-Miyaura coupling, enabling the formation of new carbon-carbon bonds. The presence of both a fluorine atom and a nitrile group on the benzene ring provides additional synthetic handles and can influence the electronic properties of target molecules. Researchers utilize this compound for synthesizing complex organic molecules, pharmaceuticals, and materials science applications where precise structural modifications and the introduction of fluorinated aryl moieties are required.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

47.0 °C

Boiling Point

272.0 °C

Density

1.2 g/cm³

Water Solubility

1.32 × 10⁻³ mol/L

Flash Point

120.0 °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 (PPE) 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 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 product is for research use only and not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

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

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29319090GHS 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.