Description

Benzonitrile, 2-[(Tetrahydro-3-Methyl-2,4,6-Trioxo-1(2H)-Pyrimidinyl)Methyl]- is a specialized organic compound featuring a benzonitrile moiety linked to a substituted barbituric acid derivative, making it a valuable synthetic intermediate. This compound matters for its role in constructing complex molecular architectures, particularly in advanced pharmaceutical research and fine chemical synthesis. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced material sectors seeking to develop new active ingredients or functional molecules.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly those with barbiturate or pyrimidine-based structures.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and plant growth regulators that require specific heterocyclic frameworks.
• Fine Chemical Synthesis: Serves as a precursor for creating complex dyes, pigments, and specialty chemicals where the benzonitrile group is essential.
• Material Science: Potential monomer or additive in the research of high-performance polymers and advanced organic electronic materials.
• Academic & Contract Research: A valuable reagent for methodological studies in organic chemistry and for contract research organizations (CROs) serving the life sciences industry.

Basic Information

Product Name	Benzonitrile, 2-[(Tetrahydro-3-Methyl-2,4,6-Trioxo-1(2H)-Pyrimidinyl)Methyl]-
CAS No.	1246610-72-9
Molecular Formula	C13H11N3O3
Molecular Weight	257.25 g/mol
Synonyms	2-[(Tetrahydro-3-methyl-2,4,6-trioxo-1(2H)-pyrimidinyl)methyl]benzonitrile; 1-[(2-Cyanophenyl)methyl]-3-methylbarbituric acid; 3-Methyl-1-[(2-cyanophenyl)methyl]barbituric acid; 1-(2-Cyanobenzyl)-3-methylpyrimidine-2,4,6(1H,3H,5H)-trione; Barbituric acid, 1-(2-cyanobenzyl)-3-methyl-; 1246610-72-9
EINECS	Contact for details

Quality Control

Our Benzonitrile, 2-[(Tetrahydro-3-Methyl-2,4,6-Trioxo-1(2H)-Pyrimidinyl)Methyl]- is produced under strict quality management systems. Each batch undergoes rigorous analytical testing to ensure identity, purity, and consistency, meeting the high standards required for research and development applications. Certificates of Analysis (COA) with detailed chromatographic and spectroscopic data are available upon request to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from incompatible materials such as strong bases and reducing agents. For long-term storage, consider an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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