Description

(3-Methyl-5-Isoxazolyl)Acetonitrile (Saltdata: Free) is a versatile heterocyclic nitrile building block, specifically an isoxazole derivative, with the CAS registry number 288318-31-0. This compound is a critical intermediate for the synthesis of more complex molecules, offering a reactive nitrile group and a substituted isoxazole ring for further functionalization. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and antimicrobials.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole scaffold.
• Material Science Research: Serves as a precursor for functionalized polymers or ligands in catalyst systems due to its heterocyclic structure.
• Chemical Biology & Proteomics: Employed as a specialty reagent for designing chemical probes and activity-based protein profiling (ABPP) agents.
• Academic & Contract Research: Essential for methodological development in organic synthesis and heterocyclic chemistry within university and CRO laboratories.
• Fine Chemical Production: Acts as a starting material for the manufacture of specialty dyes, pigments, and other performance chemicals.

Basic Information

Product Name	(3-Methyl-5-Isoxazolyl)Acetonitrile (Saltdata: Free)
CAS No.	288318-31-0
Molecular Formula	C6H6N2O
Molecular Weight	122.13 g/mol
Synonyms	2-(3-Methyl-1,2-oxazol-5-yl)acetonitrile; 5-(Cyanomethyl)-3-methylisoxazole; (3-Methyl-5-isoxazolyl)acetonitrile; 3-Methyl-5-isoxazoleacetonitrile; 5-Acetonitrile-3-methylisoxazole; Acetonitrile, (3-methyl-5-isoxazolyl)-; 288318-31-0; 5-(Cyanomethyl)-3-methyl-1,2-oxazole
EINECS	Contact for details

Quality Control

Our (3-Methyl-5-Isoxazolyl)Acetonitrile is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure it meets the high standards required for research and synthesis. A detailed Certificate of Analysis (COA) is provided with every shipment to guarantee traceability, consistency, and compliance with your specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong oxidizing agents, strong acids, and strong bases. 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
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.