Description

Methyl 3-Nitro-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate is a high-value, multi-functional chemical building block that combines a benzoate ester, a nitro group, and a boronic ester pinacol group in a single molecule. This compound is critical for enabling complex organic synthesis, particularly in the construction of advanced pharmaceutical intermediates and functional materials. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for applications in cross-coupling reactions and medicinal chemistry.

Application

• Pharmaceutical Intermediate: A key precursor in Suzuki-Miyaura cross-coupling reactions for the synthesis of novel drug candidates, especially in creating biaryl and heterobiaryl structures.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides, leveraging the boronic ester functionality for structural diversification.
• Material Science Research: Serves as a monomer or building block for creating organic electronic materials, such as polymers for OLEDs or organic semiconductors.
• Ligand and Catalyst Development: Employed in the synthesis of complex organic ligands and metal-organic frameworks (MOFs) due to its orthogonal reactive sites.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes and tags for studying biological processes.
• Academic & Industrial R&D: A versatile reagent for methodological development in organic synthesis and catalysis research.

Basic Information

Product Name	Methyl 3-Nitro-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate
CAS No.	957061-12-0
Molecular Formula	C14H18BNO6
Molecular Weight	307.11 g/mol
Synonyms	3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; Methyl 3-nitro-5-(pinacolatoboron)benzoate; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-nitrobenzoic acid methyl ester; Benzoic acid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester; 957061-12-0; Methyl 3-nitro-5-boronobenzoate pinacol ester; 3-Nitro-5-(pinacolboron)benzoic acid methyl ester
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for high-purity research chemicals. Each batch is characterized by advanced analytical techniques to guarantee identity, purity, and consistency. Certificates of Analysis (COA) detailing specific results for purity, impurities, and other critical parameters are available upon request. We adhere to strict internal quality management protocols to support your R&D and scale-up needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation of the boronic ester functionality.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Impurity (HPLC)	≤ 1.0%

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