Description

3-(tert-Butyl)-5-Methylisoxazole-4-Carboxylic Acid is a high-purity, versatile heterocyclic carboxylic acid building block essential for advanced organic synthesis. This compound is valued for its role as a key intermediate in the development of active pharmaceutical ingredients (APIs) and agrochemicals, where its unique isoxazole core imparts specific biological activity. It is primarily sought by research and development chemists, process development teams, and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries.

Application

• Pharmaceutical Intermediate: A critical building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the isoxazole moiety contributes to product efficacy.
• Chemical Research & Development: Serves as a versatile scaffold for medicinal chemistry, enabling the exploration of new chemical entities and structure-activity relationships (SAR).
• Process Chemistry & Scale-Up: Employed in the optimization and commercial-scale manufacturing of fine chemicals and active ingredients.
• Ligand & Catalyst Development: Potential use in the creation of specialized ligands for metal-catalyzed reactions due to its carboxylic acid functionality.

Basic Information

Product Name	3-(tert-Butyl)-5-Methylisoxazole-4-Carboxylic Acid
CAS No.	90643-64-4
Molecular Formula	C9H13NO3
Molecular Weight	183.21 g/mol
Synonyms	3-tert-Butyl-5-methyl-4-isoxazolecarboxylic acid; 5-Methyl-3-(tert-butyl)isoxazole-4-carboxylic acid; 4-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-5-methyl-; 3-(1,1-Dimethylethyl)-5-methyl-4-isoxazolecarboxylic Acid; 3-(tert-Butyl)-5-methyl-1,2-oxazole-4-carboxylic acid
EINECS	Contact for details

Quality Control

Our 3-(tert-Butyl)-5-Methylisoxazole-4-Carboxylic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure it meets the high standards required for pharmaceutical and agrochemical applications. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep away from strong acids and organic solvents. The container must be kept tightly closed to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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