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2-(4-Fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

CAS 1257641-06-7Formula C11H11BFNO4MW 251.02PubChem 50896237

2-(4-Fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, also known as 4-Fluorophenylboronic acid MIDA ester, is a protected boronic acid derivative. It serves as a valuable building block in organic synthesis, particularly for Suzuki-Miyaura cross-coupling reactions, enabling the introduction of a 4-fluorophenyl group into target molecules for research purposes.

Loading RDKit molecule structure...
InChIKey: VRWBUFHGNOFGKX-UHFFFAOYSA-NC11H11BFNO4 | MW 251.02

Chemical Identity

Molecular Formula

C11H11BFNO4

Molecular Weight

251.02 g/mol

Exact Mass

251.076516

PubChem CID

50896237

SMILES String

CN1CC(=O)OB(c2ccc(F)cc2)OC(=O)C1

Names & Synonyms

4-Fluorophenylboronic acid MIDA esterC11H11BFNO44-Fluorophenylboronic acid MIDA ester, 97%E85334
External Identifiers
DTXSID90678939RefChem:252372DTXCID90629688MFCD11215232SCHEMBL18418435AKOS005166805BS-49770CS-0188061

Catalog Overview

This compound is a MIDA (N-methyliminodiacetic acid) ester of 4-fluorophenylboronic acid. MIDA esters are widely recognized in synthetic organic chemistry for their enhanced stability, ease of handling, and controlled reactivity compared to free boronic acids. The dioxazaborocane ring system protects the boron atom, allowing for purification and storage while facilitating the controlled release of the active boronic acid under specific reaction conditions. This makes it an excellent reagent for the synthesis of complex fluorinated organic compounds, often found in pharmaceutical and agrochemical research.

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 to off-white crystalline solid

Physical State

Solid

Melting Point

107.0 °C

Boiling Point

332.0 °C

Density

1.35 g/cm³

Water Solubility

0.129 mol/L

Flash Point

180.0 °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 fume hood to prevent inhalation. Avoid direct contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency 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.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.