Description

Acetonitrile, [(5-Amino-3-Methyl-4-Isoxazolyl)Thio]- (9Ci) is a specialized heterocyclic building block that combines an acetonitrile moiety with a substituted isoxazole-thioether structure. This compound is of significant value in advanced organic synthesis, particularly for constructing complex molecular architectures in pharmaceutical and agrochemical research. It serves as a key intermediate for medicinal chemists and process development scientists seeking to introduce unique sulfur-containing heterocyclic motifs. The precise structure offers a versatile handle for further functionalization, enabling the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of novel drug candidates, particularly those targeting infectious diseases or central nervous system disorders.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides, leveraging the bioactive isoxazole scaffold.
• Chemical Biology Probe Synthesis: Employed in creating specialized molecular probes for studying enzyme mechanisms or protein-ligand interactions.
• Material Science Precursor: Potential use in synthesizing functionalized ligands for catalysts or monomers for advanced polymers.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific R&D and scale-up projects.

Basic Information

Product Name	Acetonitrile, [(5-Amino-3-Methyl-4-Isoxazolyl)Thio]- (9Ci)
CAS No.	140455-00-1
Molecular Formula	C7H9N3OS
Molecular Weight	183.23 g/mol
Synonyms	2-[(5-Amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]acetonitrile; (5-Amino-3-methyl-4-isoxazolylthio)acetonitrile; 4-[(Cyanomethyl)thio]-3-methyl-5-isoxazolamine; Acetonitrile, [(5-amino-3-methyl-4-isoxazolyl)thio]-; Acetonitrile, [(5-amino-3-methyl-4-isoxazolyl)thio]- (9CI)
EINECS	Contact for details

Quality Control

Every batch of Acetonitrile, [(5-Amino-3-Methyl-4-Isoxazolyl)Thio]- (9Ci) is produced and controlled under a strict quality management system. Our products undergo rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency meet the exacting standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing all specifications and test results is provided with each shipment to guarantee full traceability and support your regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. Due to the presence of amino and nitrile functional groups, it should be stored separately from strong oxidizing agents and strong acids.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
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.