Description

3-[(4S)-5-Oxo-2-(Trifluoromethyl)-1,4,5,6,7,8-Hexahydroquinolin-4-Yl]Benzonitrile is a high-value, chiral synthetic intermediate characterized by its fused quinoline core and trifluoromethyl group. This compound matters for its role as a critical building block in the development of novel, biologically active molecules, offering unique structural features for modulating pharmacokinetic properties. Pharmaceutical research and development organizations, particularly those focused on small molecule drug discovery in therapeutic areas like oncology and central nervous system (CNS) disorders, are the primary users of this advanced intermediate.

Application

• Pharmaceutical Intermediate: Serves as a key chiral precursor in the synthesis of potential drug candidates, leveraging its stereogenic center for creating enantiomerically pure active pharmaceutical ingredients (APIs).
• Medicinal Chemistry Research: Used extensively in lead optimization and structure-activity relationship (SAR) studies to explore new chemical space and improve compound efficacy and selectivity.
• Protease Inhibitor Development: The structural motif is relevant for designing inhibitors targeting various protease enzymes, which are implicated in numerous disease pathways.
• Agrochemical Research: Employed in the discovery of new active ingredients for crop protection, where the trifluoromethyl group can enhance metabolic stability and bioavailability.
• Chemical Biology Probes: Utilized to create tool compounds for investigating biological targets and pathways within academic and industrial research settings.

Basic Information

Product Name	3-[(4S)-5-Oxo-2-(Trifluoromethyl)-1,4,5,6,7,8-Hexahydroquinolin-4-Yl]Benzonitrile
CAS No.	172649-40-0
Molecular Formula	C₁₈H₁₅F₃N₂O
Molecular Weight	332.32 g/mol
Synonyms	(4S)-4-(3-Cyanophenyl)-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydro-5-quinolinone; 4(1H)-Quinolinone, 1,4,5,6,7,8-hexahydro-4-(3-cyanophenyl)-2-(trifluoromethyl)-, (4S)-; 3-[(4S)-5-Oxo-2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-yl]benzonitrile; (S)-3-(5-Oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl)benzonitrile; 172649-40-0; SCHEMBL11806279; AOB34017
EINECS	Contact for details

Quality Control

Our production of 3-[(4S)-5-Oxo-2-(Trifluoromethyl)-1,4,5,6,7,8-Hexahydroquinolin-4-Yl]Benzonitrile adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity, critical for sensitive pharmaceutical R&D applications. All material is accompanied by a comprehensive Certificate of Analysis (COA) detailing identity, purity (typically ≥97% by HPLC), chiral purity (≥99% ee), and impurity profiles. We support compliance with cGMP and ISO 9001 standards for research-grade intermediates, and specifications can be aligned with client-specific requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed in a dry environment to prevent moisture absorption, which can affect stability and handling properties. For long-term storage, consider using desiccants or storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
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.