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

CAS 1257651-06-1Formula C11H11BClNO4MW 267.47PubChem 71310828

2-(4-Chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione is a MIDA ester of 4-chlorophenylboronic acid. It functions as a protected boronic acid, primarily utilized in organic synthesis for Suzuki-Miyaura cross-coupling reactions to introduce a 4-chlorophenyl group into target molecules.

Loading RDKit molecule structure...
InChIKey: AZNGOMKOQANLLQ-UHFFFAOYSA-NC11H11BClNO4 | MW 267.47

Chemical Identity

Molecular Formula

C11H11BClNO4

Molecular Weight

267.47 g/mol

Exact Mass

267.046966

PubChem CID

71310828

SMILES String

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

Names & Synonyms

4-Chlorophenylboronic acid MIDA ester, 97%H85115
External Identifiers
MFCD15144794SCHEMBL26913858AKOS022168224AS-2874CS-0443793

Catalog Overview

2-(4-Chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, also known as 4-Chlorophenylboronic acid MIDA ester, is an organoboron compound featuring a 4-chlorophenyl group attached to a N-methyliminodiacetic acid (MIDA) boron ester. MIDA esters are stable, crystalline, and chromatography-purifiable derivatives of boronic acids, which are widely employed in organic synthesis. They serve as masked boronic acids, protecting them from protodeboronation and oxidation, and can be activated for use in Suzuki-Miyaura cross-coupling reactions under mild conditions. This specific compound provides a convenient and stable source of the...

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Read more catalog context

2-(4-Chlorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, also known as 4-Chlorophenylboronic acid MIDA ester, is an organoboron compound featuring a 4-chlorophenyl group attached to a N-methyliminodiacetic acid (MIDA) boron ester. MIDA esters are stable, crystalline, and chromatography-purifiable derivatives of boronic acids, which are widely employed in organic synthesis. They serve as masked boronic acids, protecting them from protodeboronation and oxidation, and can be activated for use in Suzuki-Miyaura cross-coupling reactions under mild conditions. This specific compound provides a convenient and stable source of the 4-chlorophenylboronic acid moiety for the synthesis of chlorinated biaryl and heteroaryl compounds in research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

400.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

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 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 thoroughly with water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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