Description

5-tert-Butyl-3-Isocyanato-Isoxazole is a specialized heterocyclic building block featuring a reactive isocyanate group. This compound is valued for its role as a key intermediate in the synthesis of advanced agrochemicals and pharmaceuticals, enabling the introduction of the isoxazole pharmacophore. It is primarily sought by research and development chemists and process engineers in the fine chemical and active pharmaceutical ingredient (API) manufacturing sectors.

Application

• Agrochemical Intermediate: A critical precursor for the synthesis of novel herbicides, fungicides, and insecticides containing the isoxazole ring system.
• Pharmaceutical Synthesis: Used in constructing potential drug candidates, particularly in medicinal chemistry programs targeting anti-inflammatory or antimicrobial agents.
• Polymer Modification: Serves as a reactive monomer or cross-linking agent for producing specialty polyurethanes and polymers with tailored properties.
• Chemical Research: Employed in academic and industrial R&D for exploring new heterocyclic chemistry and developing novel chemical entities.
• Ligand and Material Science: Acts as a building block for creating complex ligands for catalysis or functional materials.

Basic Information

Product Name	5-tert-Butyl-3-Isocyanato-Isoxazole
CAS No.	55809-53-5
Molecular Formula	C8H10N2O2
Molecular Weight	166.18 g/mol
Synonyms	3-Isocyanato-5-tert-butylisoxazole; 5-(tert-Butyl)-3-isocyanato-1,2-oxazole; 5-tert-Butyl-3-isocyanato-1,2-oxazole; Isoxazole, 5-(1,1-dimethylethyl)-3-isocyanato-; 5-tert-Butylisoxazol-3-yl isocyanate
EINECS	Contact for details

Quality Control

Our 5-tert-Butyl-3-Isocyanato-Isoxazole is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation (IR, NMR), to ensure it meets exacting standards for research and industrial use. A Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). This material is hygroscopic (moisture-sensitive) and should be handled under a dry inert atmosphere to prevent degradation. Keep away from heat, open flames, and incompatible materials such as alcohols, amines, and water.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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