Description

Allyl 5-(Bromomethyl)Isoxazole-3-Carboxylate is a versatile and high-value brominated isoxazole derivative, serving as a critical synthetic intermediate in advanced organic chemistry. Its molecular architecture, featuring both a reactive bromomethyl group and an allyl ester, makes it an essential building block for constructing complex heterocyclic scaffolds. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting neurological disorders and infectious diseases.
• Agrochemical Synthesis: Used to construct active molecules for crop protection agents, including herbicides and fungicides.
• Chemical Biology Probe Development: Serves as a versatile handle for creating activity-based probes and molecular tags due to its reactive bromomethyl functionality.
• Material Science Research: Building block for synthesizing specialized polymers and organic electronic materials with unique properties.
• Cross-Coupling Reactions: The bromomethyl group participates in palladium-catalyzed reactions (e.g., Suzuki, Heck) for carbon-carbon bond formation.
• Library Synthesis for High-Throughput Screening: Enables the rapid generation of diverse compound libraries in medicinal chemistry programs.

Basic Information

Product Name	Allyl 5-(Bromomethyl)Isoxazole-3-Carboxylate
CAS No.	833445-84-4
Molecular Formula	C9H10BrNO3
Molecular Weight	260.09 g/mol
Synonyms	Allyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate; 3-Isoxazolecarboxylic acid, 5-(bromomethyl)-, 2-propen-1-yl ester; 5-(Bromomethyl)isoxazole-3-carboxylic acid allyl ester; Allyl ester of 5-(bromomethyl)isoxazole-3-carboxylic acid
EINECS	Contact for details

Quality Control

Our production of Allyl 5-(Bromomethyl)Isoxazole-3-Carboxylate adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical characterization, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality attributes. We are committed to supplying material that meets the exacting standards required for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This compound may be sensitive to moisture and should be handled under an inert atmosphere for long-term storage to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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