Description

4-Isoxazolecarboxylicacid,5-Phenyl-3-(Trifluoromethyl)-,Methylester(9Ci) CAS NO 111079-01-7 is a specialized trifluoromethylated isoxazole derivative that serves as a high-value synthetic intermediate. This compound is prized for its unique molecular architecture, which combines a phenyl ring and a trifluoromethyl group on an isoxazole core, offering distinct electronic and steric properties for advanced chemical synthesis. It is primarily sought by research and development teams in the pharmaceutical and agrochemical sectors for constructing novel active ingredients and exploring new chemical spaces.

Application

• Pharmaceutical Intermediate: A key building block in the research and synthesis of new drug candidates, particularly for developing molecules with improved metabolic stability and bioavailability.
• Agrochemical Research: Used in creating novel active ingredients for crop protection products, leveraging the trifluoromethyl group to enhance biological activity and environmental persistence.
• Material Science: Serves as a precursor for specialty polymers and advanced materials where the isoxazole ring contributes to thermal stability and specific electronic properties.
• Chemical Synthesis: Employed in academic and industrial R&D for heterocyclic chemistry, fluorination studies, and as a scaffold for library generation in medicinal chemistry.

Basic Information

Product Name	4-Isoxazolecarboxylicacid,5-Phenyl-3-(Trifluoromethyl)-,Methylester(9Ci)
CAS No.	111079-01-7
Molecular Formula	C12H8F3NO3
Molecular Weight	271.19 g/mol
Synonyms	Methyl 5-Phenyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylate; 5-Phenyl-3-(trifluoromethyl)isoxazole-4-carboxylic Acid Methyl Ester; 3-Trifluoromethyl-5-phenylisoxazole-4-carboxylic Acid Methyl Ester; 4-Carbomethoxy-5-phenyl-3-trifluoromethylisoxazole; 111079-01-7; Methyl 5-phenyl-3-(trifluoromethyl)-4-isoxazolecarboxylate
EINECS	Contact for details

Quality Control

Our 4-Isoxazolecarboxylicacid,5-Phenyl-3-(Trifluoromethyl)-,Methylester(9Ci) is manufactured under strict quality management protocols. Each batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the stringent requirements for research and process development applications. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from incompatible materials such as strong alkalis and fluorides. Ensure the container is kept tightly sealed to protect from moisture.

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	≤ 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.