Description

4-(3-Chloro-5-(Trifluoromethyl)(2-Pyridyl))-1-(Methylsulfonyl)-1,4-Diazaperhydroepine is a high-value, complex heterocyclic compound featuring a pyridine core substituted with chloro and trifluoromethyl groups, linked to a diazaperhydroepine ring system via a methylsulfonyl bridge. This unique molecular architecture makes it a critical advanced pharmaceutical intermediate and a versatile scaffold for medicinal chemistry research. It is primarily sought after by R&D and process development teams in the pharmaceutical and agrochemical sectors for the synthesis of novel active ingredients. The compound, identified by CAS No. 1022094-80-9, is supplied under stringent quality control to ensure batch-to-batch consistency for demanding applications.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of potential drug candidates, particularly in central nervous system (CNS) and oncology research.
• Medicinal Chemistry Scaffold: Used for structure-activity relationship (SAR) studies and library synthesis due to its complex, drug-like heterocyclic structure.
• Agrochemical Research: Serves as a precursor in the development of new herbicides or insecticides, leveraging the biological activity of the pyridine and trifluoromethyl motifs.
• Chemical Biology Probe: Utilized in biochemical assays to study enzyme inhibition or receptor-ligand interactions.
• Process Chemistry & Scale-Up: Supplied for route scouting, optimization, and pilot-scale production of target molecules.
• Contract Research & Manufacturing (CRO/CMO): Essential raw material for organizations providing custom synthesis and development services.

Basic Information

Product Name	4-(3-Chloro-5-(Trifluoromethyl)(2-Pyridyl))-1-(Methylsulfonyl)-1,4-Diazaperhydroepine
CAS No.	1022094-80-9
Molecular Formula	C13H15ClF3N3O2S
Molecular Weight	369.79 g/mol
Synonyms	1,4-Diazaperhydroepine, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(methylsulfonyl)-; 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-(methylsulfonyl)-1,4-diazepane; 1-Methylsulfonyl-4-(3-chloro-5-trifluoromethyl-2-pyridyl)-1,4-diazepane; 1022094-80-9; UNII-8V8Q6T6W8P; SCHEMBL2180625; AKOS040757623; ZINC000253909995
EINECS	Contact for details

Quality Control

Our production of 4-(3-Chloro-5-(Trifluoromethyl)(2-Pyridyl))-1-(Methylsulfonyl)-1,4-Diazaperhydroepine adheres to a rigorous quality management system. Every batch is analytically verified using advanced techniques like HPLC, GC, NMR, and MS to ensure identity, purity, and conformity to client specifications. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment. We support development and commercial projects requiring material that meets GMP-grade standards for pharmaceutical intermediates.

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). The product is light-sensitive (store away from light). Keep away from heat, sparks, and open flame. For long-term storage, consider inert atmosphere conditions to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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