Description

3-Isopropyl-5-Isoxazolecarbonitrile (Saltdata: Free) is a high-purity, versatile heterocyclic nitrile building block essential for advanced organic synthesis. This compound is valued for its unique isoxazole core, which serves as a key precursor in the development of novel pharmaceuticals and agrochemicals. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole moiety.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the synthesis of novel organic electronic materials and polymers with specific optoelectronic properties.
• Chemical Biology Probes: Utilized to develop molecular probes and tags for studying biological processes and enzyme mechanisms.
• Custom Synthesis and Contract Manufacturing: A key starting material for custom synthesis projects and scale-up processes in fine chemical production.

Basic Information

Product Name	3-Isopropyl-5-Isoxazolecarbonitrile (Saltdata: Free)
CAS No.	1217862-28-6
Molecular Formula	C7H8N2O
Molecular Weight	136.15 g/mol
Synonyms	5-Cyano-3-isopropylisoxazole; 3-(1-Methylethyl)-5-isoxazolecarbonitrile; 3-Isopropyl-1,2-oxazole-5-carbonitrile; Isoxazole-5-carbonitrile, 3-isopropyl-; 3-Propan-2-yl-1,2-oxazole-5-carbonitrile
EINECS	Contact for details

Quality Control

Our 3-Isopropyl-5-Isoxazolecarbonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) are provided with each shipment, detailing comprehensive specifications. We adhere to cGMP guidelines where applicable to support our clients in regulated industry segments.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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