Description

4-Iodo-3-Methyl-5-Phenylisoxazole is a halogenated isoxazole derivative, a versatile and valuable building block in advanced organic synthesis. Its core value lies in its unique molecular architecture, which combines a reactive iodine substituent with the isoxazole and phenyl rings, making it a critical precursor for constructing complex heterocyclic systems. This compound is primarily needed by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for developing new active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Serves as a key synthon for the development of novel drug candidates, particularly in medicinal chemistry programs targeting CNS disorders, anti-inflammatory agents, and antimicrobials.
• Agrochemical Research: Used in the synthesis of new herbicides, fungicides, and insecticides, leveraging the isoxazole scaffold's bioactivity.
• Material Science Precursor: Acts as a monomer or cross-linking agent in the development of advanced polymers and functional materials with specific optical or electronic properties.
• Cross-Coupling Reactions: The iodine atom is an excellent substrate for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira), enabling the rapid diversification of molecular structures.
• Ligand Synthesis: Utilized for the preparation of specialized ligands used in catalysis and coordination chemistry.
• Chemical Biology Probes: Employed in the synthesis of tagged molecules for studying biological pathways and protein interactions.

Basic Information

Product Name	4-Iodo-3-Methyl-5-Phenylisoxazole
CAS No.	16114-53-7
Molecular Formula	C10H8INO
Molecular Weight	285.08 g/mol
Synonyms	4-Iodo-3-methyl-5-phenyl-1,2-oxazole; 3-Methyl-5-phenyl-4-iodoisoxazole; 4-Iodo-3-methyl-5-phenyl-1,2-oxazole; 5-Phenyl-3-methyl-4-iodoisoxazole; Isoxazole, 4-iodo-3-methyl-5-phenyl-; 16114-53-7 (CAS)
EINECS	Contact for details

Quality Control

Our 4-Iodo-3-Methyl-5-Phenylisoxazole is manufactured under strict quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistency and compliance with research-grade standards. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment and is available upon request.

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). Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents	Complies with ICH guidelines

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