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

CAS 1257647-82-7Formula C11H10BBrFNO4MW 329.92PubChem 71310811

This compound is a MIDA ester of 3-bromo-2-fluorophenylboronic acid, serving as a functionalized intermediate in organic synthesis.

Loading RDKit molecule structure...
InChIKey: POSHLJSRMPWZEE-UHFFFAOYSA-NC11H10BBrFNO4 | MW 329.92

Chemical Identity

Molecular Formula

C11H10BBrFNO4

Molecular Weight

329.92 g/mol

Exact Mass

328.98703

PubChem CID

71310811

SMILES String

CN1CC(=O)OB(c2cccc(Br)c2F)OC(=O)C1

Names & Synonyms

3-Bromo-2-fluorophenylboronic acid MIDA ester3-Bromo-2-fluorophenylboronic acid MIDA ester, 97%4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, 2-(3-bromo-2-fluorophenyl)dihydro-6-methyl-
External Identifiers
DTXSID40746339RefChem:251397DTXCID30697083

Catalog Overview

2-(3-Bromo-2-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, also known as 3-Bromo-2-fluorophenylboronic acid MIDA ester, is an organoboron compound with the chemical formula C11H10BBrFNO4. It features a brominated and fluorinated phenyl group attached to a MIDA (N-methyliminodiacetic acid) boronate ester. This structure makes it a valuable functionalized intermediate in organic synthesis, particularly in cross-coupling reactions, offering enhanced stability and ease of handling compared to free boronic acids.

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

49.0 °C

Boiling Point

349.0 °C

Density

1.55 g/cm³

Water Solubility

3.89 × 10⁻³ 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 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.

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