Cas no 253769-50-5 (Ethyl 2-phenylpyrimidine-4-carboxylate)

Ethyl 2-phenylpyrimidine-4-carboxylate is a versatile pyrimidine derivative widely used in pharmaceutical and agrochemical research. Its structure features a phenyl group at the 2-position and an ethyl ester at the 4-position, making it a valuable intermediate for synthesizing heterocyclic compounds. The compound exhibits good stability and solubility in common organic solvents, facilitating its use in coupling reactions and further functionalization. Its pyrimidine core is instrumental in developing bioactive molecules, including kinase inhibitors and antimicrobial agents. The ethyl ester group enhances reactivity, allowing for efficient derivatization under mild conditions. This compound is particularly useful in medicinal chemistry for scaffold modification and lead optimization.
Ethyl 2-phenylpyrimidine-4-carboxylate structure
253769-50-5 structure
Product Name:Ethyl 2-phenylpyrimidine-4-carboxylate
CAS No:253769-50-5
MF:C13H12N2O2
MW:228.246582984924
CID:2116148
Update Time:2025-11-02

Ethyl 2-phenylpyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-phenylpyrimidine-4-carboxylate
    • XATVVKSGALQBIP-UHFFFAOYSA-N
    • 4-ethoxycarbonyl-2-phenylpyrimidine
    • Ethyl 2-phenylpyrimidine-4-carboxylate
    • Inchi: 1S/C13H12N2O2/c1-2-17-13(16)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
    • InChI Key: XATVVKSGALQBIP-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC=NC(C2C=CC=CC=2)=N1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 252
  • Topological Polar Surface Area: 52.1

Ethyl 2-phenylpyrimidine-4-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A039000662-500mg
Ethyl 2-phenylpyrimidine-4-carboxylate
253769-50-5 98%
500mg
$460.73 2023-09-02
Alichem
A039000662-1g
Ethyl 2-phenylpyrimidine-4-carboxylate
253769-50-5 98%
1g
$854.81 2023-09-02

Additional information on Ethyl 2-phenylpyrimidine-4-carboxylate

Comprehensive Guide to Ethyl 2-phenylpyrimidine-4-carboxylate (CAS No. 253769-50-5): Properties, Applications, and Market Insights

Ethyl 2-phenylpyrimidine-4-carboxylate (CAS No. 253769-50-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrimidine derivative is widely recognized for its role as a key intermediate in the synthesis of bioactive molecules. With the increasing demand for novel drug candidates and crop protection agents, understanding the properties and applications of this compound is crucial for researchers and industry professionals.

The molecular structure of Ethyl 2-phenylpyrimidine-4-carboxylate combines a pyrimidine ring with a phenyl group and an ester functionality, making it a versatile building block in organic synthesis. Its CAS number 253769-50-5 serves as a unique identifier in chemical databases and regulatory documentation. Recent trends in drug discovery have highlighted the importance of such heterocyclic compounds, particularly in the development of kinase inhibitors and antimicrobial agents.

In pharmaceutical applications, Ethyl 2-phenylpyrimidine-4-carboxylate has shown promise as a precursor for various therapeutic agents. Researchers are particularly interested in its potential to form pyrimidine-based drugs, which are increasingly important in treating conditions ranging from cancer to viral infections. The compound's ester group allows for further chemical modifications, enabling the creation of diverse molecular architectures with tailored biological activities.

The agrochemical sector has also benefited from derivatives of 253769-50-5, where it serves as a foundation for developing new-generation pesticides and herbicides. With growing concerns about food security and sustainable agriculture, the demand for effective and environmentally friendly crop protection solutions has never been higher. This compound's structural features make it particularly valuable in designing molecules that target specific pest pathways while minimizing ecological impact.

From a synthetic chemistry perspective, Ethyl 2-phenylpyrimidine-4-carboxylate offers several advantages. Its relatively simple structure allows for cost-effective production at scale, while its chemical reactivity enables diverse transformations. Recent advances in green chemistry have focused on optimizing the synthesis of such intermediates, with particular emphasis on reducing waste and improving atom economy. These developments align with the pharmaceutical industry's growing commitment to sustainable manufacturing practices.

The global market for pyrimidine derivatives like 253769-50-5 has shown steady growth, driven by increasing R&D investments in both pharmaceutical and agricultural sectors. Market analysts project continued expansion, particularly in emerging economies where healthcare infrastructure and agricultural productivity are rapidly improving. Quality standards for this compound have become more stringent, with manufacturers focusing on high-purity grades to meet the exacting requirements of modern drug development programs.

Storage and handling of Ethyl 2-phenylpyrimidine-4-carboxylate require standard laboratory precautions. While not classified as hazardous under normal conditions, proper storage in cool, dry environments away from strong oxidizers is recommended to maintain product integrity. Researchers working with this compound should consult the relevant Safety Data Sheet (SDS) for specific handling guidelines and first-aid measures.

Analytical characterization of CAS 253769-50-5 typically involves techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure batch-to-batch consistency and verify the absence of impurities that could affect downstream applications. Quality control protocols have become increasingly sophisticated, reflecting the compound's importance in critical research applications.

Recent patent literature reveals growing interest in 2-phenylpyrimidine derivatives, with numerous applications filed for novel compounds derived from Ethyl 2-phenylpyrimidine-4-carboxylate. This intellectual property activity underscores the compound's value in medicinal chemistry and its potential to yield breakthrough therapies. The trend toward personalized medicine and targeted therapies has further increased demand for specialized intermediates like this one.

Environmental considerations surrounding 253769-50-5 have prompted studies on its biodegradation and ecological impact. While current data suggest low environmental persistence, ongoing research aims to develop even more sustainable derivatives and synthetic routes. These efforts align with broader industry initiatives to reduce the environmental footprint of chemical manufacturing while maintaining efficacy in end-use applications.

For researchers sourcing Ethyl 2-phenylpyrimidine-4-carboxylate, several factors should be considered. Purity specifications, typically ranging from 95% to 99%, should match the intended application. Packaging options vary from small research quantities to bulk industrial scales, with many suppliers now offering customized solutions to meet specific project requirements. The growing availability of this compound from multiple global suppliers has improved accessibility while maintaining competitive pricing.

Future research directions for pyrimidine carboxylate derivatives are likely to focus on expanding their therapeutic applications and improving synthetic methodologies. Areas such as cancer research, antiviral drug development, and neurological disorders represent particularly promising fields where this compound's derivatives may play significant roles. The continued evolution of computational chemistry and AI-assisted drug design is expected to accelerate the discovery of new applications for this versatile chemical scaffold.

In conclusion, Ethyl 2-phenylpyrimidine-4-carboxylate (CAS No. 253769-50-5) represents an important building block in modern chemical research and development. Its unique structural features and synthetic versatility make it valuable across multiple industries, particularly in pharmaceutical and agrochemical applications. As scientific understanding of heterocyclic compounds continues to advance, this compound and its derivatives are poised to contribute significantly to addressing some of society's most pressing health and agricultural challenges.

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