Description

3-(Pyrimidin-2-Ylthio)Pentane-2,4-Dione is a specialized organic compound featuring a pyrimidine-thioether linkage to a pentanedione moiety, making it a valuable synthon for heterocyclic chemistry. This compound matters as a key building block for the synthesis of complex molecules, particularly in the development of active pharmaceutical ingredients (APIs) and advanced agrochemicals. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries seeking to introduce specific heterocyclic and diketone functionalities into their target structures.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of novel drug candidates, particularly those targeting kinase inhibition or possessing specific heterocyclic cores.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the pyrimidine ring is a common bioactive scaffold.
• Ligand and Catalyst Development: Acts as a starting material for creating chelating ligands or organocatalysts in asymmetric synthesis and metal complexation.
• Material Science Research: Employed in the development of organic electronic materials or metal-organic frameworks (MOFs) due to its potential coordination sites.
• Chemical Biology Probes: Utilized to build molecular probes for studying enzyme mechanisms or protein-ligand interactions.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific custom synthesis projects.

Basic Information

Product Name	3-(Pyrimidin-2-Ylthio)Pentane-2,4-Dione
CAS No.	175277-25-5
Molecular Formula	C11H12N2O2S
Molecular Weight	236.29 g/mol
Synonyms	2,4-Pentanedione, 3-[(2-pyrimidinyl)thio]-; 3-(2-Pyrimidinylthio)-2,4-pentanedione; 3-(Pyrimidin-2-ylsulfanyl)pentane-2,4-dione; 3-(Pyrimidin-2-ylthio)acetylacetone; Acetylacetone, 3-(2-pyrimidinylthio)-; 3-Pyrimidin-2-ylsulfanyl-pentane-2,4-dione
EINECS	Contact for details

Quality Control

Every batch of 3-(Pyrimidin-2-Ylthio)Pentane-2,4-Dione undergoes rigorous analytical testing to ensure identity, purity, and consistency. Our quality system is designed to meet the stringent requirements of research and cGMP manufacturing environments. A comprehensive Certificate of Analysis (COA) detailing purity (typically by HPLC or GC), identity confirmation (by IR, NMR, and/or MS), and impurity profiles is provided with each shipment to support your regulatory and R&D documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). The compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (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.