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

CAS 1220219-61-3Formula C14H17BFNO2MW 261.1PubChem 54759097

2-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile is a fluorinated phenylacetonitrile derivative incorporating a pinacol boronic ester. This compound serves as a valuable building block in organic synthesis, particularly for constructing complex molecules through cross-coupling reactions.

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

Chemical Identity

Molecular Formula

C14H17BFNO2

Molecular Weight

261.1 g/mol

Exact Mass

261.133637

PubChem CID

54759097

IUPAC Name

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

SMILES String

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

Names & Synonyms

Benzeneacetonitrile, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SAFMDYCIEJEGJQ-UHFFFAOYSA-NXH0413F216217A1-00791
Show all synonyms
4-Cyanomethyl-3-fluorophenylboronic acid pinacol esterZ2049758627[2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile2-[2-FLUORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETONITRILE
External Identifiers
MFCD18383797SCHEMBL2554670DTXSID00716699AKOS015907887AT26687BS-21240CS-0173890EN300-7386440

Catalog Overview

2-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, with CAS 1220219-61-3, is a sophisticated organic compound designed for research and development applications. It features a phenyl ring substituted with a fluorine atom, an acetonitrile group, and a pinacol boronic ester. The boronic ester moiety is highly reactive in Suzuki-Miyaura coupling reactions, enabling the formation of new carbon-carbon bonds with aryl or vinyl halides. The presence of the fluorine atom can influence physicochemical properties and reactivity, while the acetonitrile group provides another functional handle for further...

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Read more catalog context

2-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile, with CAS 1220219-61-3, is a sophisticated organic compound designed for research and development applications. It features a phenyl ring substituted with a fluorine atom, an acetonitrile group, and a pinacol boronic ester. The boronic ester moiety is highly reactive in Suzuki-Miyaura coupling reactions, enabling the formation of new carbon-carbon bonds with aryl or vinyl halides. The presence of the fluorine atom can influence physicochemical properties and reactivity, while the acetonitrile group provides another functional handle for further derivatization. This compound is primarily utilized as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.

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

1.2 g/cm³

Water Solubility

5.25 × 10⁻⁴ mol/L

Flash Point

175.0 °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. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

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

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