Description

5-Pyrimidinecarboxylicacid,1,2,3,6-Tetrahydro-4-Methyl-2-Thioxo-,2-Propynylester(9Ci) is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its role as a key precursor in the development of novel pharmacologically active molecules, particularly within medicinal chemistry research. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Serves as a critical synthon in the research and development of new drug candidates, particularly for central nervous system (CNS) and oncology targets.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization programs to explore novel bioactive compounds.
• Agrochemical Synthesis: Acts as a building block for developing new active ingredients in crop protection and pesticide formulations.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying enzyme mechanisms and biological pathways.
• Fine Chemical Production: Employed in the custom synthesis of complex, high-value specialty chemicals for various industrial applications.
• Academic Research: A valuable reagent for universities and research institutions conducting studies in heterocyclic and synthetic organic chemistry.

Basic Information

Product Name	5-Pyrimidinecarboxylicacid,1,2,3,6-Tetrahydro-4-Methyl-2-Thioxo-,2-Propynylester(9Ci)
CAS No.	813455-07-1
Molecular Formula	C10H10N2O2S
Molecular Weight	222.26 g/mol
Synonyms	1,2,3,6-Tetrahydro-4-methyl-2-thioxo-5-pyrimidinecarboxylic acid 2-propynyl ester; 2-Propynyl 1,2,3,6-tetrahydro-4-methyl-2-thioxo-5-pyrimidinecarboxylate; Propargyl 1,4,5,6-tetrahydro-4-methyl-2-mercaptopyrimidine-5-carboxylate; 5-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-4-methyl-2-thioxo-, 2-propyn-1-yl ester; CAS 813455-07-1
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. We provide material with a typical purity of ≥95% (by HPLC), suitable for research and development applications. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request. For specific pharmacopeial (USP/EP) or custom grade requirements, please contact our technical sales team.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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