Description

[4-(3-Fluoro-5-Trifluoromethylpyridin-2-Yl)Piperazin-1-Yl][5-Methylsulfonyl-2-[((S)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Phenyl]Methanone CAS NO 845614-11-1 is a high-purity, advanced pharmaceutical intermediate featuring a complex molecular architecture with multiple fluorine substitutions. This compound is of significant commercial value for its role in the synthesis of novel, potent active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring high selectivity. It is primarily targeted at research institutions and pharmaceutical manufacturers engaged in the development of next-generation small-molecule drugs, where its specific stereochemistry and functional groups are critical for biological activity.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of proprietary drug candidates, especially those targeting central nervous system (CNS) disorders and metabolic diseases.
• Preclinical & Clinical Research: Used in discovery chemistry and process development for creating novel chemical entities with optimized pharmacokinetic profiles.
• Agrochemical Development: Serves as a precursor for advanced crop protection agents, leveraging its fluorinated pyridine and piperazine motifs for enhanced bioactivity and environmental stability.
• Chemical Biology Probes: Utilized in academic and industrial research to develop selective probes for studying enzyme function and receptor interactions.
• Process Chemistry Optimization: Employed in scaling up synthetic routes, where its defined chiral center is crucial for producing enantiomerically pure final products.

Basic Information

Product Name	[4-(3-Fluoro-5-Trifluoromethylpyridin-2-Yl)Piperazin-1-Yl][5-Methylsulfonyl-2-[((S)-2,2,2-Trifluoro-1-Methylethyl)Oxy]Phenyl]Methanone
CAS No.	845614-11-1
Molecular Formula	C21H18F7N3O4S
Molecular Weight	541.44 g/mol
Synonyms	(S)-[4-(3-Fluoro-5-Trifluoromethylpyridin-2-yl)piperazin-1-yl][5-Methylsulfonyl-2-[(2,2,2-trifluoro-1-methylethoxy)]phenyl]methanone; 845614-11-1; UNII-9J8F9C61VU; Methanone, [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-methylethyl]oxy]phenyl]-; 9J8F9C61VU; (S)-Enantiomer of the Pfizer compound CP-945598; Otenabant intermediate
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency for critical R&D and scale-up work. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and chiral analysis to confirm identity, purity, and enantiomeric excess. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment. While not a bulk API, our quality protocols are designed to support development under GMP-like conditions where required by our partners.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The compound is light-sensitive (store away from light). Keep the container tightly sealed in a dry environment to minimize exposure to atmospheric moisture. For long-term storage, consider inert gas purging.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Conforms to reference standard
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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