Description

1H-Pyrazole-4-Carboxylic Acid, 5-Mercapto-1-(4-Pyrimidinyl)-, Ethyl Ester CAS NO 105877-69-8 is a high-purity, heterocyclic organic compound featuring a unique pyrazole-pyrimidine core structure with a thiol and ester functionality. This molecular architecture makes it a critical building block for advanced pharmaceutical research and fine chemical synthesis. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for developing novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting enzyme inhibition or receptor modulation.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides due to its heterocyclic scaffold.
• Ligand Synthesis: The thiol and nitrogen-rich structure makes it suitable for creating chelating ligands in catalysis and metal-organic frameworks (MOFs).
• Chemical Biology Probes: Employed in the design of activity-based probes or labeling agents to study biological processes.
• Fine Chemical Synthesis: Acts as a versatile synthon for constructing more complex heterocyclic compounds in custom synthesis projects.
• Material Science Precursor: Potential use in the development of organic electronic materials or polymers with specific functionalities.

Basic Information

Product Name	1H-Pyrazole-4-Carboxylic Acid, 5-Mercapto-1-(4-Pyrimidinyl)-, Ethyl Ester
CAS No.	105877-69-8
Molecular Formula	C11H10N4O2S
Molecular Weight	262.29 g/mol
Synonyms	Ethyl 5-mercapto-1-(pyrimidin-4-yl)-1H-pyrazole-4-carboxylate; 5-Mercapto-1-(4-pyrimidinyl)-1H-pyrazole-4-carboxylic Acid Ethyl Ester; 1-(Pyrimidin-4-yl)-5-sulfanyl-1H-pyrazole-4-carboxylic acid ethyl ester; 105877-69-8; 1H-Pyrazole-4-carboxylic acid, 5-mercapto-1-(4-pyrimidinyl)-, ethyl ester; Ethyl 1-(4-pyrimidinyl)-5-thioxo-4,5-dihydro-1H-pyrazole-4-carboxylate (tautomer)
EINECS	Contact for details

Quality Control

Our 1H-Pyrazole-4-Carboxylic Acid, 5-Mercapto-1-(4-Pyrimidinyl)-, Ethyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment. We can support development projects requiring compliance with ICH guidelines and other relevant regulatory frameworks.

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 easily oxidized (store under inert atmosphere) and light-sensitive (store away from light). Keep away from heat, sparks, and open flame. For long-term storage, consider storage under an inert gas such as nitrogen or argon.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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