Description

n-(3-Methyl-Isothiazol-5-Yl)-4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Benzamide is a high-value pharmaceutical intermediate and chemical building block featuring a benzamide core linked to both an isothiazole heterocycle and a pinacol boronate ester. This compound matters for its critical role in modern synthetic chemistry, particularly in Suzuki-Miyaura cross-coupling reactions, enabling the efficient construction of complex biaryl structures. It is primarily needed by research and development teams in the pharmaceutical, agrochemical, and advanced materials sectors for the synthesis of novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, especially those targeting CNS disorders, inflammation, and infectious diseases.
• Suzuki-Miyaura Cross-Coupling Reagent: The boronate ester group makes it an essential partner for palladium-catalyzed coupling with aryl/heteroaryl halides to form new carbon-carbon bonds.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides that incorporate the isothiazole-benzamide pharmacophore.
• Material Science: Serves as a precursor for creating organic electronic materials, such as those used in OLEDs and semiconductors, where precise molecular architecture is required.
• Chemical Biology & Proteomics: Employed in the design and synthesis of chemical probes and activity-based protein profiling (ABPP) agents.
• Library Synthesis for High-Throughput Screening: A valuable scaffold for generating diverse compound libraries to identify new biological hits in drug discovery campaigns.

Basic Information

Product Name	n-(3-Methyl-Isothiazol-5-Yl)-4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Benzamide
CAS No.	864754-51-8
Molecular Formula	C17H21BN2O3S
Molecular Weight	344.24 g/mol
Synonyms	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)benzamide; 4-(Pinacolatoboryl)-N-(3-methylisothiazol-5-yl)benzamide; 864754-51-8; Benzamide, N-(3-methyl-5-isothiazolyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(3-methylisothiazol-5-yl)benzamide; Boronic acid, B-[4-[[(3-methyl-5-isothiazolyl)amino]carbonyl]phenyl]-, pinacol ester
EINECS	Contact for details

Quality Control

Our production of n-(3-Methyl-Isothiazol-5-Yl)-4-(4,4,5,5-Tetramethyl-[1,3,2]Dioxaborolan-2-Yl)-Benzamide adheres to stringent quality protocols to ensure batch-to-batch consistency and reliability for critical research and process chemistry. Each lot undergoes comprehensive analytical characterization, including HPLC for purity, NMR (1H, 13C, 11B) for structural confirmation, and mass spectrometry. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat and incompatible materials.

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%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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