Description

5-Pyrimidinecarboxylicacid,1,2,3,6-Tetrahydro-4-Methyl-2-Thioxo-,3-Butynylester(9Ci) is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound, with CAS number 813454-79-4, is valued for its unique molecular architecture, which incorporates a pyrimidine core, a thioxo group, and a reactive butynyl ester moiety. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for the construction of novel active ingredients and complex molecular scaffolds.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting enzyme inhibition.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging its heterocyclic structure for bioactivity.
• Chemical Biology Probe Synthesis: Serves as a precursor for creating molecular probes to study biological pathways and protein interactions.
• Material Science Research: Investigated as a monomer or precursor for advanced polymers and functional materials with specific electronic or thermal properties.
• Academic & Contract Research: Employed in university and CRO laboratories for methodological development and exploration of new chemical reactions.

Basic Information

Product Name	5-Pyrimidinecarboxylicacid,1,2,3,6-Tetrahydro-4-Methyl-2-Thioxo-,3-Butynylester(9Ci)
CAS No.	813454-79-4
Molecular Formula	C11H12N2O2S
Molecular Weight	236.29 g/mol
Synonyms	3-Butyn-1-yl 1,2,3,6-tetrahydro-4-methyl-2-thioxo-5-pyrimidinecarboxylate; 1,2,3,6-Tetrahydro-4-methyl-2-thioxo-5-pyrimidinecarboxylic acid 3-butynyl ester; 5-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, 3-butynyl ester; 813454-79-4; But-3-yn-1-yl 4-methyl-2-thioxo-1,2,3,6-tetrahydropyrimidine-5-carboxylate
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Every batch is analyzed to confirm identity, purity, and consistency. Certificates of Analysis (COA) detailing specific test results are available upon request. We adhere to a quality management system to guarantee the reliability and traceability of our advanced intermediates for critical research applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. Due to the presence of ester and thioxo functional groups, it is recommended to store under an inert atmosphere for long-term stability and to minimize potential degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Melting Point	Contact for details
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.