Description

5-Isoxazolecarboxaldehyde, 3-(1-Hydroxy-2-Propynyl)- (9Ci) is a specialized heterocyclic aldehyde building block of significant interest in advanced organic synthesis. Its molecular structure, featuring both an isoxazole ring and a propargylic alcohol moiety, makes it a versatile precursor for constructing complex pharmacophores and functional materials. This compound is primarily sought by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for the development of novel active ingredients and specialty chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the research and development of new drug candidates, particularly for molecules containing fused heterocyclic systems.
• Agrochemical Synthesis: Used in the creation of novel herbicides, fungicides, and insecticides, leveraging its reactive aldehyde and alkyne groups for structural diversification.
• Material Science Research: Acts as a building block for synthesizing specialized polymers, ligands, or metal-organic frameworks (MOFs) with tailored properties.
• Chemical Biology Probes: Utilized in the synthesis of molecular probes and tags due to its ability to undergo click chemistry reactions via the alkyne functionality.
• Academic & Contract Research: Employed in university and CRO laboratories for methodological studies in synthetic organic chemistry and catalysis.

Basic Information

Product Name	5-Isoxazolecarboxaldehyde, 3-(1-Hydroxy-2-Propynyl)- (9Ci)
CAS No.	152663-46-2
Molecular Formula	C7H5NO3
Molecular Weight	151.12 g/mol
Synonyms	3-(1-Hydroxy-2-propynyl)-5-isoxazolecarboxaldehyde; 3-(1-Hydroxyprop-2-yn-1-yl)-1,2-oxazole-5-carbaldehyde; 5-Formyl-3-(1-hydroxy-2-propynyl)isoxazole; 3-(1-Hydroxy-2-propynyl)isoxazole-5-carboxaldehyde; 152663-46-2; 3-(1-Hydroxyprop-2-ynyl)-5-isoxazolecarbaldehyde
EINECS	Contact for details

Quality Control

Our production of 5-Isoxazolecarboxaldehyde, 3-(1-Hydroxy-2-Propynyl)- (9Ci) adheres to stringent in-process controls to ensure batch-to-batch consistency and high purity. Every lot is fully characterized and analyzed using advanced techniques including HPLC, GC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality and regulatory requirements.

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). Due to its sensitivity, the container should be kept under an inert atmosphere (e.g., nitrogen or argon) to prevent oxidation and moisture ingress. Keep away from heat sources and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	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.