Description

2H-Azepin-2-One, Hexahydro-1-(Trifluoroacetyl)- (9Ci) is a specialized heterocyclic compound featuring a seven-membered lactam (azepinone) core functionalized with a trifluoroacetyl group. This structure makes it a valuable and versatile building block and intermediate in advanced organic synthesis, particularly for introducing nitrogen-containing motifs with enhanced lipophilicity and metabolic stability. It is primarily utilized by research and development teams in the pharmaceutical and agrochemical sectors for the creation of novel active ingredients and complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders, due to its lactam scaffold.
• Agrochemical Research: Used in developing new herbicides, fungicides, and insecticides where the trifluoroacetyl group can influence biological activity and environmental persistence.
• Organic Synthesis Building Block: Employed in academic and industrial R&D for constructing complex nitrogen-containing heterocycles and for studying ring-expansion reactions.
• Material Science: Potential intermediate in the synthesis of specialty polymers, dyes, or ligands for catalysis, leveraging its unique electronic properties.
• Chemical Biology Probe Development: Useful for creating molecular probes and tools to study enzyme function or protein-ligand interactions.

Basic Information

Product Name	2H-Azepin-2-One, Hexahydro-1-(Trifluoroacetyl)- (9Ci)
CAS No.	74681-69-9
Molecular Formula	C8H10F3NO2
Molecular Weight	209.17 g/mol
Synonyms	1-(Trifluoroacetyl)azepan-2-one; Hexahydro-1-(trifluoroacetyl)-2H-azepin-2-one; 2H-Azepin-2-one, hexahydro-1-(trifluoroacetyl)-; N-Trifluoroacetylcaprolactam; Caprolactam, N-trifluoroacetyl-; 1-Trifluoroacetylazepan-2-one; N-(Trifluoroacetyl)caprolactam
EINECS	Contact for details

Quality Control

Our production of 2H-Azepin-2-One, Hexahydro-1-(Trifluoroacetyl)- (9Ci) adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistency and meet the exacting standards required for research and process development. A detailed Certificate of Analysis (COA) is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong bases and fluorides. The container should be kept tightly sealed to prevent moisture absorption.

Specification

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