Description

3-Thioxo-1-Trifluoromethyl-2,3,5,6,7,8-Hexahydro-Isoquinoline-4-Carbonitrile is a sophisticated heterocyclic building block featuring a unique combination of a thioxo group and a trifluoromethyl substituent. This compound is valued for its role as a key intermediate in advanced organic synthesis, particularly in the development of novel pharmacologically active molecules. It is primarily sought after by research institutions and pharmaceutical companies engaged in medicinal chemistry and agrochemical discovery programs.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders and other therapeutic areas.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the trifluoromethyl group can enhance biological activity and environmental stability.
• Material Science: Acts as a building block for creating specialized organic materials, such as ligands for catalysis or components for organic electronics.
• Chemical Biology: Employed in the design and synthesis of molecular probes and enzyme inhibitors for biochemical research.
• Academic & R&D: Utilized in university and corporate research laboratories for methodological studies in heterocyclic and fluorine chemistry.

Basic Information

Product Name	3-Thioxo-1-Trifluoromethyl-2,3,5,6,7,8-Hexahydro-Isoquinoline-4-Carbonitrile
CAS No.	326616-08-4
Molecular Formula	C11H9F3N2S
Molecular Weight	258.26 g/mol
Synonyms	4-Cyano-1-(trifluoromethyl)-3,4,5,6,7,8-hexahydroisoquinoline-3-thione; 1-Trifluoromethyl-3-thioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile; 3,4,5,6,7,8-Hexahydro-1-(trifluoromethyl)-4-isoquinolinecarbonitrile-3-thione; 326616-08-4; 3-Thioxo-1-trifluoromethyl-2,3,5,6,7,8-hexahydro-4-cyanoisoquinoline
EINECS	Contact for details

Quality Control

Our production of 3-Thioxo-1-Trifluoromethyl-2,3,5,6,7,8-Hexahydro-Isoquinoline-4-Carbonitrile adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. All materials are characterized using advanced analytical techniques including HPLC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles 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 room temperature (15-25°C). Keep away from strong oxidizing agents and strong bases. The compound may be light-sensitive; prolonged exposure to light should be avoided.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.