Description

Methyl 3-Cyano-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate is a high-value, multi-functional organic building block that combines a benzoate ester, a nitrile group, and a pinacol boronate ester in a single molecule. This compound matters because it serves as a critical intermediate in modern synthetic chemistry, enabling the construction of complex molecular architectures through versatile cross-coupling reactions. Pharmaceutical, agrochemical, and advanced materials researchers need it for developing new active ingredients and functional polymers. Its structure offers precise control for introducing the benzoate-cyano pharmacophore into target molecules via Suzuki-Miyaura coupling.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing novel active pharmaceutical ingredients (APIs), especially in kinase inhibitor and oncology drug discovery programs.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and plant growth regulators requiring specific aromatic substitution patterns.
• Material Science & OLED Development: Serves as a precursor for creating advanced organic electronic materials, including emissive layers and electron transport materials in OLED devices.
• Ligand & Catalyst Design: Employed in the synthesis of sophisticated ligands for transition metal catalysis and organocatalysts.
• Chemical Biology & Probe Synthesis: Utilized for creating fluorescent tags, molecular probes, and bioconjugation reagents due to its reactive handles.
• Polymer & Resin Modification: Acts as a monomer or cross-linking agent for engineering polymers with specific thermal, optical, or mechanical properties.
• Academic & Contract Research: Essential reagent in university and CRO laboratories for methodological development in synthetic organic chemistry.

Basic Information

Product Name	Methyl 3-Cyano-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate
CAS No.	1352413-06-9
Molecular Formula	C15H18BNO4
Molecular Weight	287.12 g/mol
Synonyms	3-Cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; Methyl 3-cyano-5-(pinacolatoboryl)benzoate; 5-(Pinacolatoboraneyl)-3-cyanobenzoic acid methyl ester; 3-Cyano-5-(pinacolboronato)benzoic acid methyl ester; Benzoic acid, 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester; Methyl 5-borono-3-cyanobenzoate pinacol ester; 1352413-06-9
EINECS	Contact for details

Quality Control

Our Methyl 3-Cyano-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) with detailed chromatographic data are provided for each lot to guarantee reproducible performance in your critical synthetic applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). The product is light-sensitive (store away from light). For long-term storage under inert atmosphere (argon/nitrogen) is recommended to maintain optimal stability.

Specification

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

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