Description

Isoxazole, 3-Ethyl-5-(Isothiocyanatomethyl)- (9Ci) is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound is valued for its unique molecular architecture, which combines an isoxazole core with a reactive isothiocyanate functional group. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and complex molecular scaffolds.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting neurological disorders and infectious diseases.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides with novel modes of action.
• Chemical Biology Probe Synthesis: Serves as a versatile handle for creating activity-based probes to study enzyme function and protein interactions.
• Material Science: Investigated as a monomer or cross-linking agent for the development of advanced polymers with specific thermal or mechanical properties.
• Ligand Development: Employed in the creation of novel chelating agents and catalysts for asymmetric synthesis.

Basic Information

Product Name	Isoxazole, 3-Ethyl-5-(Isothiocyanatomethyl)- (9Ci)
CAS No.	478016-03-4
Molecular Formula	C7H8N2OS
Molecular Weight	168.22 g/mol
Synonyms	3-Ethyl-5-(isothiocyanatomethyl)isoxazole; 5-(Isothiocyanatomethyl)-3-ethylisoxazole; 3-Ethyl-5-isothiocyanatomethylisoxazole; (3-Ethylisoxazol-5-yl)methyl isothiocyanate; Isothiocyanic acid, (3-ethyl-5-isoxazolyl)methyl ester
EINECS	Contact for details

Quality Control

Our Isoxazole, 3-Ethyl-5-(Isothiocyanatomethyl)- (9Ci) is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the exacting standards required for research and development. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting identity, purity, and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
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.