Description

4-Isoxazolecarboxylic Acid, 5-Methyl-3-[2-(Methylamino)-3-(2-Methylpropyl)Phenyl]- is a specialized heterocyclic carboxylic acid derivative that serves as a critical synthetic intermediate in advanced organic chemistry. Its unique molecular architecture, featuring both an isoxazole ring and a substituted phenyl group, makes it a valuable building block for constructing complex pharmacologically active molecules. This high-purity compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, particularly for the synthesis of novel active ingredients targeting specific biological pathways.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) disorders, inflammation, or metabolic diseases.
• Agrochemical Research: Used in the development of next-generation herbicides, fungicides, or insecticides, leveraging its heterocyclic core for bioactivity.
• Chemical Biology Probe Synthesis: Serves as a scaffold for creating molecular probes to study enzyme function or protein-protein interactions in biological systems.
• Material Science Research: Potential monomer or additive for developing specialty polymers with unique thermal or optical properties.
• Academic & Contract Research: Employed in university and CRO (Contract Research Organization) laboratories for method development and exploratory synthetic chemistry.

Basic Information

Product Name	4-Isoxazolecarboxylic Acid, 5-Methyl-3-[2-(Methylamino)-3-(2-Methylpropyl)Phenyl]-
CAS No.	958818-89-8
Molecular Formula	C16H20N2O3
Molecular Weight	288.34 g/mol
Synonyms	5-Methyl-3-[2-(methylamino)-3-(2-methylpropyl)phenyl]-4-isoxazolecarboxylic acid; 3-(2-(Methylamino)-3-isobutylphenyl)-5-methylisoxazole-4-carboxylic acid; 958818-89-8; AI3-53197; ZINC000103430537; AKOS005247889; BDBM50389379; STK795077; 4-Isoxazolecarboxylic acid, 5-methyl-3-[2-(methylamino)-3-(2-methylpropyl)phenyl]-
EINECS	Contact for details

Quality Control

Every batch of 4-Isoxazolecarboxylic Acid, 5-Methyl-3-[2-(Methylamino)-3-(2-Methylpropyl)Phenyl]- is manufactured under strict quality management systems. We provide comprehensive analytical data to ensure the material meets the high standards required for research and development. A detailed Certificate of Analysis (COA) is supplied with each shipment, confirming identity, purity, and impurity profiles as determined by advanced chromatographic and spectroscopic methods (HPLC, GC, NMR, MS).

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). This compound may be hygroscopic (moisture-sensitive); therefore, the container must be kept tightly sealed in a dry environment. Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm

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