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

CAS 775351-57-0Formula C13H15BFNO2MW 247.07PubChem 11402361

This compound is a fluorinated benzonitrile derivative featuring a pinacol boronate ester, commonly employed as a versatile building block in organic synthesis, especially for Suzuki-Miyaura cross-coupling reactions.

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

Chemical Identity

Molecular Formula

C13H15BFNO2

Molecular Weight

247.07 g/mol

Exact Mass

247.117987

PubChem CID

11402361

SMILES String

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

Names & Synonyms

690-898-63-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER3-Cyano-4-fluorophenylboronic acid pinacol ester2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzonitrileBENZONITRILE, 2-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
Show all synonyms
3-CYANO-4-FLUOROBENZENEBORONIC ACID PINACOL ESTERRYJOVQGRIOURGT-UHFFFAOYSA-N2-FLUORO-5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILECS-W000967F1253N104833-Cyano-4-fluorophenyl-boronic acid pinacol esterF219374Z20447540473-Cyano-4-fluorophenylboronic acid pinacol ester, AldrichCPR2-Fluoro-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzonitrile
External Identifiers
DTXSID10464790RefChem:87088DTXCID90415609MFCD06795681SCHEMBL1514603SCHEMBL30375876AKOS015960097AB29243DS-12916SY017630DB-011025EN300-211080

Catalog Overview

2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a synthetic organic compound characterized by a fluorinated benzonitrile core and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This bifunctional structure makes it a valuable intermediate in the synthesis of complex molecules. The boronate ester allows for facile C-C bond formation via Suzuki-Miyaura coupling, while the cyano and fluoro substituents offer additional sites for further chemical transformations or introduce specific electronic and steric properties into target compounds. It is primarily used in research and development...

Use Context

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

2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a synthetic organic compound characterized by a fluorinated benzonitrile core and a 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl (pinacol boronate) group. This bifunctional structure makes it a valuable intermediate in the synthesis of complex molecules. The boronate ester allows for facile C-C bond formation via Suzuki-Miyaura coupling, while the cyano and fluoro substituents offer additional sites for further chemical transformations or introduce specific electronic and steric properties into target compounds. It is primarily used in research and development settings for the construction of novel chemical entities.

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

1.3 g/cm³

Water Solubility

1.32 × 10⁻³ mol/L

Flash Point

130.0 °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.

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