Description

6-(2,2,3,3,3-Pentadeuteriopropyl)-2-Sulfanylidene-1H-Pyrimidin-4-One is a deuterated pyrimidinone derivative, a high-value building block designed for advanced research and development. This compound is critical for applications requiring isotopic labeling to study metabolic pathways, reaction mechanisms, and pharmacokinetics. It is primarily utilized by pharmaceutical researchers, agrochemical developers, and contract research organizations (CROs) engaged in the synthesis of novel active ingredients.

Application

• Deuterated Pharmaceutical Intermediate: Serves as a key synthon in the synthesis of deuterium-labeled drug candidates for improved metabolic stability and bioavailability studies.
• Metabolic Pathway Tracer: Used in mass spectrometry and NMR-based research to track and elucidate biochemical pathways and degradation products.
• Agrochemical Research: Employed in the development of novel, labeled pesticides and herbicides to study environmental fate and degradation.
• Mechanistic Studies: Facilitates investigation of reaction mechanisms in organic and medicinal chemistry through isotopic labeling.
• Reference Standard: Acts as an analytical standard for quality control and quantification in deuterated compound synthesis.
• Proteomics & Biochemistry: Used in the design of probes and tools for studying protein-ligand interactions and enzyme kinetics.

Basic Information

Product Name	6-(2,2,3,3,3-Pentadeuteriopropyl)-2-Sulfanylidene-1H-Pyrimidin-4-One
CAS No.	1189423-94-6
Molecular Formula	C7H5D5N2OS
Molecular Weight	173.24 g/mol
Synonyms	6-(2,2,3,3,3-Pentadeuteriopropyl)-2-thioxo-1,2-dihydropyrimidin-4(3H)-one; 6-(Perdeuteriopropyl)-2-mercapto-4-pyrimidinone; 4-Hydroxy-6-(pentadeuteriopropyl)-2-mercaptopyrimidine; Deuterated 6-propyl-2-thiouracil derivative; [2,2,3,3,3-2H5]Propyl-2-thioxo-dihydropyrimidinone; 1189423-94-6; 6-(Perdeutero-n-propyl)-2-thio-4-pyrimidinol
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality management systems. Each batch of 6-(2,2,3,3,3-Pentadeuteriopropyl)-2-Sulfanylidene-1H-Pyrimidin-4-One is characterized and tested to ensure high chemical and isotopic purity, with a typical deuterium incorporation of >98 atom % D. Certificates of Analysis (COA) detailing results from NMR, HPLC, and mass spectrometry are provided to guarantee traceability and consistency for your critical research applications.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated place. Keep the container sealed to protect this light-sensitive material from prolonged exposure.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Deuterium Content (NMR/MS)	≥ 98 atom % D
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.