Description

3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid is a specialized boron-containing heterocyclic compound that serves as a high-value synthetic intermediate. Its unique structure, featuring a benzoic acid moiety fused to a dioxazaborocane ring system, makes it a critical building block for advanced material science and pharmaceutical research. This compound is primarily sought by R&D chemists and process development scientists in the fine chemical, agrochemical, and pharmaceutical industries for constructing complex molecules with tailored properties. Its precise reactivity profile enables the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting enzyme inhibition where the boron center can act as a pharmacophore.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides that require complex heterocyclic scaffolds.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of advanced polymers, resins, and coatings with specific thermal or chemical resistance properties.
• Ligand and Catalyst Development: The boron and oxygen-rich structure makes it a candidate for designing novel ligands for transition metal catalysis or as a component in organoboron catalysts.
• Chemical Biology Probes: Utilized in the creation of molecular probes for studying biological processes, leveraging the reactivity of the boron heterocycle.
• Academic & Industrial R&D: Fundamental building block in organic synthesis for methodological studies and the construction of complex molecular architectures.

Basic Information

Product Name	3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid
CAS No.	1257651-53-8
Molecular Formula	C12H10BNO6
Molecular Weight	275.03 g/mol
Synonyms	3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid; Benzoic acid, 3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-; 2-(3-Carboxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 6-Methyl-2-(3-carboxyphenyl)-1,3,6,2-dioxazaborocane-4,8-dione; Boron heterocycle benzoic acid derivative; CAS 1257651-53-8.
EINECS	Contact for details

Quality Control

Every batch of 3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzoic acid is manufactured under strict quality management protocols. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency meet the high standards required for research and development applications. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment to guarantee full traceability and compliance with your specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and light-sensitive; containers must be kept tightly sealed after each use to prevent degradation from atmospheric moisture and light exposure.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.