Cas no 1211519-48-0 (Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate)

Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate is a pyrimidine derivative with a molecular formula of C?H?N?O?. This compound features a hydroxyl group at the 5-position and a methyl ester at the 4-position, making it a versatile intermediate in organic synthesis and pharmaceutical applications. Its structural framework is valuable for constructing more complex heterocyclic systems, particularly in medicinal chemistry for drug discovery. The presence of both hydroxyl and ester functional groups enhances its reactivity, enabling further derivatization. The compound exhibits moderate stability under standard conditions, facilitating handling and storage. Its well-defined structure and functional group compatibility make it a useful building block for researchers in synthetic and medicinal chemistry.
Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate structure
1211519-48-0 structure
Product Name:Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate
CAS No:1211519-48-0
MF:C7H8N2O3
MW:168.15002155304
CID:4815944
Update Time:2025-11-01

Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate
    • Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate
    • Inchi: 1S/C7H8N2O3/c1-4-8-3-5(10)6(9-4)7(11)12-2/h3,10H,1-2H3
    • InChI Key: JOOSSZKYEIHJCK-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C(=CN=C(C)N=1)O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • XLogP3: 1
  • Topological Polar Surface Area: 72.3

Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate Pricemore >>

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Additional information on Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate

Comprehensive Overview of Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate (CAS No. 1211519-48-0)

Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate (CAS No. 1211519-48-0) is a specialized pyrimidine derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique molecular structure, serves as a key intermediate in the synthesis of bioactive molecules. Its hydroxyl and ester functional groups make it a versatile building block for drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents. Researchers are increasingly exploring its potential in targeted therapies, aligning with the growing demand for precision medicine.

The rise of AI-driven drug discovery has further amplified interest in compounds like Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate. Computational models frequently highlight its structural adaptability, which is critical for optimizing binding affinity in virtual screening. Recent publications emphasize its role in fragment-based drug design, a trending topic in medicinal chemistry. Additionally, its low toxicity profile and high synthetic yield make it a sustainable choice for industrial-scale applications, addressing the pharmaceutical industry's focus on green chemistry.

From an analytical perspective, CAS No. 1211519-48-0 is often studied using advanced techniques such as HPLC and LC-MS. These methods ensure high purity, a critical factor for regulatory compliance in drug development. The compound's stability under various pH conditions also makes it suitable for formulation studies, a common query among formulation scientists. Furthermore, its solubility in organic solvents is frequently discussed in forums, as it impacts reaction efficiency in multi-step syntheses.

In agrochemical applications, Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate is explored as a precursor for crop protection agents. With the global push toward sustainable agriculture, researchers are investigating its derivatives for eco-friendly pest control. This aligns with searches for "biodegradable agrochemicals" and "non-toxic plant growth regulators," reflecting broader environmental concerns. Its pyrimidine core is known to interact with biological targets in pests, offering a mechanism distinct from conventional pesticides.

The compound's patent landscape reveals its commercial viability. Over the past decade, numerous patents have claimed its use in anticancer and antiviral formulations, responding to the urgent need for novel therapeutics. Searches like "pyrimidine-based anticancer drugs" or "broad-spectrum antiviral compounds" often cite this molecule as a promising candidate. Its cost-effective synthesis further enhances its appeal for startups and academic labs with limited budgets.

In summary, Methyl 5-hydroxy-2-methylpyrimidine-4-carboxylate (CAS No. 1211519-48-0) stands at the intersection of innovation and practicality. Its applications span drug discovery, agrochemicals, and material science, driven by its structural versatility and compatibility with modern synthetic methodologies. As industries prioritize sustainability and efficiency, this compound is poised to remain a focal point in scientific and industrial discourse.

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