Description

(2Z)-3-(4-Amino-3,5-Dimethylphenyl)-2-Propenenitrile-D6 is a deuterated analog of a key pharmaceutical intermediate, where six hydrogen atoms are replaced with the stable isotope deuterium. This isotopic labeling is critical for enhancing the metabolic stability and pharmacokinetic profiling of drug candidates during research and development. It is primarily utilized by pharmaceutical companies and contract research organizations (CROs) engaged in the synthesis of deuterated drugs, analytical method development, and mass spectrometry studies.

Application

• Deuterated Drug Synthesis: Serves as a vital building block for creating novel Active Pharmaceutical Ingredients (APIs) with improved metabolic profiles (deuterium kinetic isotope effect).
• Metabolic Pathway Studies: Used as an internal standard or tracer in mass spectrometry to investigate drug metabolism and identify metabolites with high precision.
• Analytical Reference Standard: Essential for developing and validating sensitive and accurate HPLC-MS/MS methods for bioanalysis and pharmacokinetic studies.
• Chemical Biology Research: Employed in mechanistic studies to understand enzyme-substrate interactions and reaction pathways.
• Process Chemistry & Scale-up: Supports the development of robust and scalable synthetic routes for deuterated compounds in pilot and commercial manufacturing.

Basic Information

Product Name	(2Z)-3-(4-Amino-3,5-Dimethylphenyl)-2-Propenenitrile-D6
CAS No.	1795135-93-1
Molecular Formula	C11H5D6N2
Molecular Weight	~177.24 g/mol
Synonyms	(Z)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile-d6; 2-Propenenitrile, 3-(4-amino-3,5-dimethylphenyl)-, (2Z)-, D6; Deuterated (2Z)-3-(4-Amino-3,5-Dimethylphenyl)-2-Propenenitrile; 3-(4-Amino-3,5-dimethylphenyl)acrylonitrile (deuterated, Z-isomer); D6-labeled Deutetrabenazine Intermediate; Tetrabenazine-d6 Derivative; Deuterium-labeled Nitrile Intermediate; Aromatic Amino Acrylonitrile-d6
EINECS	Contact for details

Quality Control

Our deuterated compounds are manufactured under strict quality control protocols to ensure isotopic purity and chemical integrity. Each batch is characterized using advanced analytical techniques including NMR (¹H, ²H, ¹³C), HPLC, and mass spectrometry. Certificates of Analysis (COA) are provided, detailing isotopic enrichment (typically ≥98 atom % D), chemical purity (by HPLC), and confirming structural identity. We adhere to cGMP principles where applicable for pharmaceutical-grade materials.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). For long-term stability, consider storage under an inert atmosphere such as argon or nitrogen. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	Off-white to light yellow solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (²H NMR/MS)	≥ 98 atom % D
Residual Solvents (GC)	Meets ICH guidelines
Water Content (KF)	≤ 0.5%

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