Description

2-[(3S)-3-(2,3,4,5,6-Pentadeuteriophenyl)-3-[4-(Trifluoromethyl)Phenoxy]Propyl]Isoindole-1,3-Dione is a sophisticated deuterated and fluorinated chemical intermediate of significant value in advanced research and development. This compound, with CAS No. 1795786-54-7, is specifically engineered to provide a stable isotopic label and unique physicochemical properties for probing metabolic pathways and enhancing molecular stability. It is primarily required by pharmaceutical and agrochemical research organizations for the development of novel active ingredients, including potential kinase inhibitors and other targeted therapies.

Application

• Pharmaceutical Intermediate: Critical building block for the synthesis of deuterated drug candidates, leveraging the kinetic isotope effect for improved metabolic stability and pharmacokinetics.
• Agrochemical Research: Used in developing advanced active ingredients with enhanced environmental persistence or targeted activity.
• Metabolic Pathway Tracing: Serves as a deuterium-labeled probe in mass spectrometry-based studies to track the fate of molecules in biological systems.
• Medicinal Chemistry: Enables structure-activity relationship (SAR) studies by introducing deuterium and trifluoromethylphenoxy motifs to modulate lipophilicity and binding affinity.
• Biochemical Tool Compound: Potential use in developing selective enzyme inhibitors for research purposes.
• Material Science Precursor: May be utilized in the synthesis of specialty polymers or liquid crystals requiring specific fluorinated aromatic units.

Basic Information

Product Name	2-[(3S)-3-(2,3,4,5,6-Pentadeuteriophenyl)-3-[4-(Trifluoromethyl)Phenoxy]Propyl]Isoindole-1,3-Dione
CAS No.	1795786-54-7
Molecular Formula	C24H10D5F3N1O3
Molecular Weight	443.40 g/mol (approx.)
Synonyms	(3S)-3-(Perdeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl phthalimide; 1,3-Dioxoisoindol-2-ylmethyl(3S)-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propane; Deuterated N-[(3S)-3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]phthalimide; (S)-2-(3-(Perdeuteriophenyl)-3-(4-(trifluoromethyl)phenoxy)propyl)isoindoline-1,3-dione; Phthalimide deuterated analog; Deuterated trifluoromethylphenoxy propyl phthalimide.
EINECS	Contact for details

Quality Control

Our production of this high-value intermediate adheres to strict quality protocols to ensure batch-to-batch consistency and purity for sensitive R&D applications. Each lot is characterized using advanced analytical techniques including NMR, HPLC, and MS to confirm identity, isotopic enrichment, and chemical purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic); ensure the container is sealed under an inert atmosphere such as nitrogen or argon after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Deuterium Enrichment (MS)	≥ 95 atom % D
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.