Description

1-Benzotriazol-1-Yl-3-Chloropropan-2-One is a specialized organic building block featuring a benzotriazole leaving group and a reactive α-chloroketone moiety. This molecular architecture makes it a valuable reagent for the synthesis of complex heterocycles and for use in peptide coupling and other nucleophilic substitution reactions. It is primarily sought by research chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing novel active compounds and intermediates.

Application

• Pharmaceutical Intermediate: A key synthon for the preparation of novel drug candidates, particularly in medicinal chemistry programs targeting protease inhibitors and other biologically active molecules.
• Agrochemical Synthesis: Used in the research and development of new pesticides and herbicides, leveraging its reactivity to introduce specific functional groups.
• Peptide Mimetics & Conjugation: Serves as an activating agent or linker in the synthesis of peptide analogs and for bioconjugation strategies in chemical biology.
• Heterocyclic Chemistry: A versatile building block for the construction of complex nitrogen-containing heterocycles, which are core structures in many active pharmaceutical ingredients (APIs).
• Material Science Research: Investigated as a precursor for functionalized polymers or organic electronic materials due to its dual reactivity.
• Cross-Coupling & Catalysis: Employed in methodological studies as an electrophilic coupling partner in metal-catalyzed or organocatalytic reactions.

Basic Information

Product Name	1-Benzotriazol-1-Yl-3-Chloropropan-2-One
CAS No.	305851-04-1
Molecular Formula	C9H6ClN3O
Molecular Weight	207.62 g/mol
Synonyms	1-(1H-Benzotriazol-1-yl)-3-chloro-2-propanone; 3-Chloro-1-(1H-1,2,3-benzotriazol-1-yl)-2-propanone; 1-(1H-Benzotriazol-1-yl)-3-chloroacetone; 1-Benzotriazolyl-3-chloro-2-propanone; 1-(Benzotriazol-1-yl)-3-chloro-2-propanone; 3-Chloro-1-(benzotriazol-1-yl)propan-2-one; BTCK; α-Chloroketone benzotriazole derivative
EINECS	Contact for details

Quality Control

Our 1-Benzotriazol-1-Yl-3-Chloropropan-2-One is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and tests for residual solvents and moisture content. We provide Certificates of Analysis (COA) with every shipment to ensure traceability and compliance with your research or development specifications.

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 is moisture-sensitive and should be handled under inert atmosphere for long-term stability.

Specification

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