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

CAS 1604036-96-5Formula C17H19BFN3O2MW 327.2PubChem 90104895

This compound is a complex organic molecule featuring a fluorinated benzonitrile group linked to a pyrazole ring, which is further substituted with a pinacol boronate ester. It is primarily used as a functionalized intermediate in organic synthesis.

Loading RDKit molecule structure...
InChIKey: AWNHLXYKFVQQJJ-UHFFFAOYSA-NC17H19BFN3O2 | MW 327.2

Chemical Identity

Molecular Formula

C17H19BFN3O2

Molecular Weight

327.2 g/mol

Exact Mass

327.155435

PubChem CID

90104895

IUPAC Name

4-fluoro-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]benzonitrile

SMILES String

CC1(C)OB(c2cnn(Cc3cc(F)ccc3C#N)c2)OC1(C)C

Names & Synonyms

C17H19BFN3O2H28525A1-09566
External Identifiers
SCHEMBL15652104CS-0177425

Catalog Overview

4-Fluoro-2-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)benzonitrile is a sophisticated fluorinated organic compound. Its structure combines a 4-fluoro-2-cyanophenylmethyl moiety with a 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole unit. The presence of the pinacol boronate ester makes it a versatile building block for Suzuki-Miyaura cross-coupling reactions, while the nitrile and fluorine groups offer additional sites for further functionalization or specific electronic properties. This compound is valuable in the synthesis of complex molecules, particularly in pharmaceutical and...

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Read more catalog context

4-Fluoro-2-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)benzonitrile is a sophisticated fluorinated organic compound. Its structure combines a 4-fluoro-2-cyanophenylmethyl moiety with a 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole unit. The presence of the pinacol boronate ester makes it a versatile building block for Suzuki-Miyaura cross-coupling reactions, while the nitrile and fluorine groups offer additional sites for further functionalization or specific electronic properties. This compound is valuable in the synthesis of complex molecules, particularly in pharmaceutical and agrochemical research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

145.0 °C

Boiling Point

380.0 °C

Density

1.25 g/cm³

Water Solubility

Slightly soluble to insoluble

Flash Point

200.0 °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
  • For research use only. Handle with appropriate personal protective equipment, 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 safety information before handling.

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