Description

4-Isoxazolecarboxylic Acid, 5-[(Butylamino)Carbonyl]-3-[[(4-Fluorophenyl)Thio]Methyl]- is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its unique molecular architecture, which combines an isoxazole core with fluorinated and thioether functionalities, enabling precise structural modifications. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and exploring new chemical spaces.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzyme inhibitors or receptor modulators.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides, leveraging its heterocyclic structure for bioactivity.
• Chemical Biology Probe: Acts as a scaffold for creating molecular probes to study biological pathways and protein-ligand interactions.
• Material Science Exploration: Investigated as a monomer or additive for creating specialized polymers with unique thermal or chemical resistance properties.
• Academic & Contract Research: Employed in universities and CROs (Contract Research Organizations) for methodological studies and discovery chemistry projects.

Basic Information

Product Name	4-Isoxazolecarboxylic Acid, 5-[(Butylamino)Carbonyl]-3-[[(4-Fluorophenyl)Thio]Methyl]-
CAS No.	920750-46-5
Molecular Formula	C16H17FN2O3S
Molecular Weight	336.38 g/mol
Synonyms	5-(Butylcarbamoyl)-3-[(4-fluorophenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid; 3-[[(4-Fluorophenyl)thio]methyl]-5-[(butylamino)carbonyl]isoxazole-4-carboxylic acid; 920750-46-5; 4-Carboxy-3-[(4-fluorophenylthio)methyl]-5-(N-butylcarbamoyl)isoxazole; 5-(N-Butylaminocarbonyl)-3-((4-fluorophenylthio)methyl)isoxazole-4-carboxylic acid
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. We provide material with a typical purity of ≥95% (by HPLC), tailored to meet the specific requirements of research and process development. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request. Our quality management system supports development under cGMP guidelines where required.

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 compound may be light-sensitive and should be handled under an inert atmosphere for long-term stability. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Loss on Drying	≤ 1.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm

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