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2-[2-(Bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

CAS 1257740-52-5Formula C12H13BBrNO4MW 325.95PubChem 71310870

This compound is a functionalized MIDA boronate ester, featuring a bromomethyl group on a phenyl ring. It serves as a versatile building block in organic synthesis, particularly useful for cross-coupling reactions and introducing reactive bromomethylphenyl functionalities into target molecules.

Loading RDKit molecule structure...
InChIKey: GUOSLMTXTQNEPM-UHFFFAOYSA-NC12H13BBrNO4 | MW 325.95

Chemical Identity

Molecular Formula

C12H13BBrNO4

Molecular Weight

325.95 g/mol

Exact Mass

325.0121

PubChem CID

71310870

SMILES String

CN1CC(=O)OB(c2ccccc2CBr)OC(=O)C1

Names & Synonyms

2-Bromomethylphenylboronic acid MIDA ester2-(2-(Bromomethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dioneBoron, [2-(bromomethyl)phenyl][N-[(carboxy-kappaO)methyl]-N-methylglycinato(2-)-kappaN,kappaO]-, (T-4)-
External Identifiers
SCHEMBL20346274DTXSID00746370

Catalog Overview

2-[2-(Bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is an organoboron compound featuring a MIDA (N-methyliminodiacetic acid) boronate ester linked to a 2-bromomethylphenyl moiety. The MIDA ester provides enhanced stability and controlled reactivity for the boron center, making it suitable for various synthetic transformations. Concurrently, the bromomethyl group acts as a reactive electrophilic site, enabling further functionalization. This dual functionality positions it as a valuable and versatile intermediate for complex molecular construction in research settings.

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

341.0 °C

Density

1.6 g/cm³

Water Solubility

9.77 × 10⁻⁴ mol/L

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 2-[2-(Bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, chemical-resistant gloves, and a lab coat. Avoid inhalation of dust or vapors, ingestion, and direct skin or eye contact. In case of exposure, wash affected areas thoroughly with soap and water and seek medical attention if irritation persists. Store the compound in a cool, dry place, tightly sealed, and away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before use.

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