Description

3-Buten-2-One, 4-(1H-1,2,4-Triazol-1-Yl)- (8Ci,9Ci) is a specialized heterocyclic building block featuring a reactive α,β-unsaturated ketone (enone) moiety conjugated with a 1,2,4-triazole ring. This unique molecular architecture makes it a valuable intermediate for synthesizing novel compounds with potential biological activity. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries. Its structural features enable its use in the creation of complex molecules for drug discovery and crop protection agents.

Application

• Pharmaceutical Intermediate: A key synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly those targeting enzymes or receptors where the triazole and enone functionalities are critical for binding.
• Agrochemical Synthesis: Used in the design and synthesis of novel fungicides, herbicides, or plant growth regulators, leveraging the bioactivity often associated with triazole derivatives.
• Chemical Research & Development: Serves as a versatile building block in organic synthesis for constructing complex heterocyclic systems and exploring new chemical spaces in medicinal chemistry.
• Material Science Precursor: Potential use in the synthesis of specialized polymers or ligands for metal-organic frameworks (MOFs), where the functional groups can coordinate to metals or participate in polymerization.
• Bioconjugation & Probe Development: The reactive enone group can be utilized in Michael addition reactions for bioconjugation strategies in developing biochemical probes or labeled compounds.

Basic Information

Product Name	3-Buten-2-One, 4-(1H-1,2,4-Triazol-1-Yl)- (8Ci,9Ci)
CAS No.	21794-58-1
Molecular Formula	C6H7N3O
Molecular Weight	137.14 g/mol
Synonyms	4-(1H-1,2,4-Triazol-1-yl)-3-buten-2-one; 1-(1,2,4-Triazol-1-yl)-3-buten-2-one; 3-Buten-2-one, 4-(1H-1,2,4-triazol-1-yl)-; 4-(1,2,4-Triazol-1-yl)but-3-en-2-one; 1-Triazol-1-yl-3-buten-2-one; (E)-4-(1H-1,2,4-Triazol-1-yl)but-3-en-2-one (possible isomer); 21794-58-1
EINECS	Contact for details

Quality Control

Our 3-Buten-2-One, 4-(1H-1,2,4-Triazol-1-Yl)- (8Ci,9Ci) is produced under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and synthesis. Certificates of Analysis (COA) detailing batch-specific results are provided and available upon request to support your quality assurance protocols.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after each use to prevent degradation from atmospheric moisture. Keep away from 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)	≤ 1.0%
Residue on Ignition	≤ 0.1%

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