Description

(5-Isobutylisoxazol-3-Yl)Acetonitrile is a high-value, heterocyclic nitrile building block of significant interest in advanced organic synthesis. This compound matters for its role as a versatile precursor in the development of novel pharmacologically active molecules, particularly within medicinal chemistry. It is primarily needed by research and development teams in the pharmaceutical, agrochemical, and fine chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and synthesis of new drug candidates, particularly those containing the isoxazole pharmacophore.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, leveraging its heterocyclic structure for bioactivity.
• Ligand and Catalyst Development: Employed in the preparation of specialized ligands for catalysis and metal-organic frameworks (MOFs).
• Fine Chemical Synthesis: Acts as a building block for creating complex, high-value specialty chemicals and dyes.
• Academic & Institutional R&D: Utilized in university and research institute laboratories for methodological studies and exploring new chemical reactions.

Basic Information

Product Name	(5-Isobutylisoxazol-3-Yl)Acetonitrile
CAS No.	1245772-96-6
Molecular Formula	C9H12N2O
Molecular Weight	164.20 g/mol
Synonyms	3-Isoxazoleacetonitrile, 5-(2-methylpropyl)-; 5-(2-Methylpropyl)-3-isoxazoleacetonitrile; 2-(5-Isobutylisoxazol-3-yl)acetonitrile; (5-Isobutyl-1,2-oxazol-3-yl)acetonitrile; Acetonitrile, (5-isobutyl-3-isoxazolyl)-
EINECS	Contact for details

Quality Control

Our (5-Isobutylisoxazol-3-Yl)Acetonitrile is produced under a strict quality management system. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory needs.

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 heat, sparks, and open flame. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.