Description

1-(4-Chlorobenzyl)-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarbonitrile is a high-purity, specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters as a critical intermediate for developing novel active pharmaceutical ingredients (APIs) and agrochemicals, enabling the construction of complex molecular architectures. Pharmaceutical research and development (R&D) laboratories and fine chemical manufacturers need it for creating new therapeutic candidates, particularly in areas requiring pyrimidine-based scaffolds.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly for antiviral, anticancer, and central nervous system (CNS) active compounds.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides that leverage the pyrimidinecarbonitrile core for biological activity.
• Chemical Biology & Proteomics: Serves as a versatile scaffold for designing enzyme inhibitors, molecular probes, and tool compounds for target validation studies.
• Material Science Research: Investigated as a precursor for specialty polymers, liquid crystals, or organic electronic materials due to its conjugated structure.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of client-specific target molecules on various scales.

Basic Information

Product Name	1-(4-Chlorobenzyl)-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarbonitrile
CAS No.	338399-17-0
Molecular Formula	C₁₂H₈ClN₃O₂
Molecular Weight	261.66 g/mol
Synonyms	5-Cyano-1-(4-chlorobenzyl)pyrimidine-2,4(1H,3H)-dione; 1-(4-Chlorobenzyl)-5-cyanopyrimidine-2,4(1H,3H)-dione; 1-(p-Chlorobenzyl)barbituric acid-5-carbonitrile; 5-Cyano-1-[(4-chlorophenyl)methyl]pyrimidine-2,4(1H,3H)-dione; 1-(4-Chlorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile; 1-(4-Chlorobenzyl)dihydro-2,4-dioxo-5-pyrimidinecarbonitrile; 338399-17-0; 1-(4-Chlorobenzyl)-5-cyanouracil
EINECS	Contact for details

Quality Control

Our 1-(4-Chlorobenzyl)-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarbonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for research and scale-up activities.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep the container tightly sealed in a dry environment to prevent moisture absorption. For long-term storage, consider inert gas purging.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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