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3-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoic Acid CAS NO 515131-35-8


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CAS No.:515131-35-8

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is a high-value, multi-functional boronic ester derivative that serves as a critical building block in modern synthetic chemistry. Its core value lies in enabling efficient carbon-carbon bond formation via the Suzuki-Miyaura cross-coupling reaction, a cornerstone of pharmaceutical and advanced materials research. This compound is essential for medicinal chemists and process development scientists working on active pharmaceutical ingredients (APIs), agrochemicals, and organic electronic materials.

Application

  • Pharmaceutical Intermediate: Key building block for synthesizing novel drug candidates, particularly in constructing biaryl and heterobiaryl scaffolds common in oncology, CNS, and anti-inflammatory therapies.
  • Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides, where its boronate group allows for the precise introduction of the substituted benzoic acid moiety.
  • Material Science: Serves as a monomer or precursor in the synthesis of organic semiconductors, liquid crystals, and metal-organic frameworks (MOFs) for electronic and photonic applications.
  • Chemical Research & Development: A versatile reagent in academic and industrial R&D labs for methodology development and creating complex organic molecules through palladium-catalyzed cross-coupling reactions.
  • Peptide Modification & Bioconjugation: The carboxylic acid group allows for further functionalization, making it useful for creating boronic acid-based sensors or probes for biochemical applications.

Basic Information

Item Details
Product Name 3-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Benzoic Acid
CAS No. 515131-35-8
Molecular Formula C14H19BO4
Molecular Weight 262.11 g/mol
Synonyms 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-methylbenzoic acid; 3-Methyl-4-(pinacolatoboryl)benzoic acid; 4-Pinacolatoborane-3-methylbenzoic acid; Benzoic acid, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 515131-35-8; 3-Methyl-4-boronic acid pinacol ester benzoic acid
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Quality Control

Our 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and scale-up. A detailed Certificate of Analysis (COA) is provided with each shipment, guaranteeing traceability and consistent quality for your critical synthetic applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under inert atmosphere (e.g., nitrogen or argon) for prolonged use to maintain optimal purity and reactivity.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Identification (NMR) Conforms to structure
Purity (HPLC) ≥ 97.0%
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.

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