Description

3,5-Dimethyl-4-Isoxazolyl Isothiocyanate is a specialized heterocyclic building block featuring a reactive isothiocyanate group. This compound is valued for its role as a key intermediate in the synthesis of more complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought by R&D chemists and process development scientists working on novel active ingredients, where its unique structure enables the introduction of the thiourea pharmacophore.

Application

• Pharmaceutical Intermediate: Serves as a crucial building block for the synthesis of potential drug candidates, especially those targeting various enzyme inhibitors.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole and isothiocyanate motifs.
• Chemical Biology Probe: Employed in the design and synthesis of molecular probes for studying biological processes due to its reactive group that can conjugate with amines.
• Material Science: Acts as a monomer or cross-linking agent in the development of specialty polymers with tailored properties.
• Organic Synthesis: A versatile reagent for constructing heterocyclic compounds and introducing sulfur-containing functional groups into target molecules.

Basic Information

Product Name	3,5-Dimethyl-4-Isoxazolyl Isothiocyanate
CAS No.	321309-27-7
Molecular Formula	C6H6N2OS
Molecular Weight	154.19 g/mol
Synonyms	4-Isothiocyanato-3,5-dimethylisoxazole; 3,5-Dimethyl-4-isoxazolyl isothiocyanate; 3,5-Dimethylisoxazole-4-isothiocyanate; 4-Isothiocyanato-3,5-dimethyl-1,2-oxazole; 3,5-Dimethyl-4-isothiazolyl isothiocyanate (common misspelling); DTXSID90672966
EINECS	Contact for details

Quality Control

Our 3,5-Dimethyl-4-Isoxazolyl Isothiocyanate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity suitable for research and development applications. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as identity, purity, and impurity profiles. Our quality system is designed to meet the stringent requirements of advanced chemical synthesis.

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). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere or in a desiccator to prevent degradation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%

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