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4-Fluoro-3-(N-BOC-N-methylamino)phenylboronic acid pinacol ester

CAS 2377608-96-1Formula C18H27BFNO4MW 351.2PubChem 134128660

4-Fluoro-3-(N-BOC-N-methylamino)phenylboronic acid pinacol ester is a fluorinated phenylboronic acid pinacol ester derivative, commonly employed as a versatile building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions in research settings.

Loading RDKit molecule structure...
InChIKey: DZZBZFADICZHFV-UHFFFAOYSA-NC18H27BFNO4 | MW 351.2

Chemical Identity

Molecular Formula

C18H27BFNO4

Molecular Weight

351.2 g/mol

Exact Mass

351.201717

PubChem CID

134128660

IUPAC Name

tert-butyl N-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylcarbamate

SMILES String

CN(C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F

Names & Synonyms

tert-Butyl (2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(methyl)carbamatetert-butyl N-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methyl-carbamate
External Identifiers
MFCD30182418BS-34639CS-0176586

Catalog Overview

4-Fluoro-3-(N-BOC-N-methylamino)phenylboronic acid pinacol ester, with CAS 2377608-96-1, is a sophisticated organic compound featuring a fluorinated phenyl ring, a BOC-protected N-methylamino group, and a pinacol boronic ester functionality. This combination makes it a valuable intermediate for the synthesis of complex molecules, especially in pharmaceutical research and agrochemical development. The boronic ester group allows for efficient cross-coupling reactions, while the fluorine atom and protected amine provide opportunities for further functionalization and structural diversification in research-use applications.

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

100.0 °C

Boiling Point

400.0 °C

Density

1.2 g/cm³

Water Solubility

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
  • Handle 4-Fluoro-3-(N-BOC-N-methylamino)phenylboronic acid pinacol ester 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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and proper disposal procedures.

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