Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate

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1. Product Overview & Specifications

Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate (CAS: 778-97-2) is a specialized pyrimidine derivative with the molecular formula C9H13N3O2S and a molecular weight of 227.28 g/mol. This compound features a pyrimidine ring substituted with amino, ethylthio, and ethyl carboxylate functional groups, making it a versatile intermediate in organic synthesis.

Key Specifications:

Parameter Value
CAS Number 778-97-2
Molecular Formula C9H13N3O2S
Molecular Weight 227.28 g/mol
Synonyms 4-Amino-2-(ethylthio)-5-pyrimidinecarboxylic acid ethyl ester; 2-Ethylthio-4-aminopyrimidine-5-carboxylate

Comparative Analysis:

Compound Substituent Molecular Weight Key Applications
Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate Ethylthio 227.28 Pharmaceutical intermediates
Ethyl 4-amino-2-(methylthio)-5-pyrimidinecarboxylate Methylthio 213.25 Agrochemical synthesis

2. Key Applications

This compound is primarily utilized as a high-value intermediate in the following domains:

  • Pharmaceuticals: Serves as a precursor in the synthesis of antiviral and anticancer agents due to its reactive pyrimidine core.
  • Agrochemicals: Used to develop herbicides and fungicides with enhanced selectivity.
  • Chemical Research: Acts as a building block for novel heterocyclic compounds in medicinal chemistry.

3. Usage Guidelines

  • Storage: Store in a cool, dry environment (2-8°C) under inert gas to prevent degradation.
  • Handling: Use PPE (gloves, goggles) to avoid direct contact; ensure adequate ventilation.
  • Solubility: Soluble in DMSO, DMF, and methanol; insoluble in water.

4. Industry Use Cases

  • Drug Development: Integrated into kinase inhibitor synthesis for targeted cancer therapies.
  • Material Science: Facilitates the creation of photoactive compounds for organic electronics.

5. Client Success Stories

Note: Specific client details are confidential. Below are generalized examples:

  • Case 1: A European pharmaceutical company utilized this compound to optimize the synthesis route of a Phase III antiviral drug, reducing production costs by 18%.
  • Case 2: A Asian agrochemical manufacturer incorporated it into a next-generation fungicide formulation, achieving 95% efficacy against resistant pathogens.

6. Contact for Custom Solutions

For technical inquiries or bulk orders, contact our team:

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