Description

2-[(6-Chloro-3,4-Dihydro-3-Methyl-2,4-Dioxo-1(2H)-Pyrimidinyl)Methyl]-Benzonitrile-D3 is a deuterated derivative of a key pyrimidinone-based intermediate, offering enhanced metabolic stability and traceability for advanced research. This compound is critical for the development of deuterated active pharmaceutical ingredients (APIs) and serves as a vital building block in medicinal chemistry. It is primarily utilized by pharmaceutical R&D teams and fine chemical manufacturers focused on creating novel therapeutics, particularly in oncology and virology.

Application

• Deuterated Active Pharmaceutical Ingredient (API) Synthesis: Used as a deuterium-labeled intermediate in the production of novel drug candidates with improved pharmacokinetic profiles.
• Metabolic Pathway Tracing: Serves as a stable isotope-labeled tracer in drug metabolism and pharmacokinetics (DMPK) studies.
• Medicinal Chemistry Research: A key scaffold for the design and synthesis of new chemical entities targeting specific enzymes or receptors.
• Reference Standard for Analytical Testing: Employed as a high-purity standard in HPLC, LC-MS, and NMR analysis for method development and validation.
• Process Chemistry Development: Used in route scouting and optimization for the scalable synthesis of complex molecules.

Basic Information

Product Name	2-[(6-Chloro-3,4-Dihydro-3-Methyl-2,4-Dioxo-1(2H)-Pyrimidinyl)Methyl]-Benzonitrile-D3
CAS No.	1794937-18-0
Molecular Formula	C13H6D3ClN3O2
Molecular Weight	277.71 g/mol
Synonyms	6-Chloro-3-methyl-1-[(2-cyanophenyl-d3)methyl]uracil; 1-[(2-Cyanophenyl-d3)methyl]-6-chloro-3-methyluracil; 2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methyl]benzonitrile-d3; Deuterated Pyrimidinone Benzonitrile; 6-Chloro-3-methyl-1-(2-cyanobenzyl-d3)uracil; 1-(2-Cyanobenzyl-d3)-6-chloro-3-methyluracil; 1794937-18-0
EINECS	Contact for details

Quality Control

Our 2-[(6-Chloro-3,4-Dihydro-3-Methyl-2,4-Dioxo-1(2H)-Pyrimidinyl)Methyl]-Benzonitrile-D3 is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and LC-MS, to ensure high chemical purity, isotopic enrichment, and structural identity. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to support your regulatory and research 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 (moisture-sensitive) nature, the container should be kept in a desiccated environment to prevent degradation. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D-content, LC-MS)	≥ 98 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.