Cas no 98832-80-5 (Ethyl 3-methylpyridazine-4-carboxylate)

Ethyl 3-methylpyridazine-4-carboxylate is a pyridazine derivative with applications in pharmaceutical and agrochemical research. This compound serves as a versatile intermediate in the synthesis of heterocyclic compounds due to its reactive ester and methyl groups, which facilitate further functionalization. Its pyridazine core is notable for contributing to the biological activity of various drug candidates, particularly in antimicrobial and anti-inflammatory agents. The ethyl ester group enhances solubility in organic solvents, making it suitable for diverse reaction conditions. With a well-defined structure and high purity, it is a reliable building block for medicinal chemistry and material science applications.
Ethyl 3-methylpyridazine-4-carboxylate structure
98832-80-5 structure
Product Name:Ethyl 3-methylpyridazine-4-carboxylate
CAS No:98832-80-5
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD11506291
CID:1007065
PubChem ID:13433353
Update Time:2025-06-10

Ethyl 3-methylpyridazine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-methylpyridazine-4-carboxylate
    • Ethyl 3-methyl-pyridazine-4-carboxylate
    • 3-methyl-pyridazine-4-carboxylic acid ethyl ester
    • DTXSID00540653
    • AKOS006324385
    • SY028631
    • NS-01333
    • FT-0716427
    • PB32968
    • CS-W020487
    • SCHEMBL3598344
    • InChI=1/C8H10N2O2/c1-3-12-8(11)7-4-5-9-10-6(7)2/h4-5H,3H2,1-2H
    • P11140
    • 4-Pyridazinecarboxylic acid, 3-methyl-, ethyl ester
    • YDA83280
    • MFCD11506291
    • 98832-80-5
    • TVAAFELLTHKOFM-UHFFFAOYSA-N
    • DB-080566
    • MDL: MFCD11506291
    • Inchi: 1S/C8H10N2O2/c1-3-12-8(11)7-4-5-9-10-6(7)2/h4-5H,3H2,1-2H3
    • InChI Key: TVAAFELLTHKOFM-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=CN=NC=1C)=O

Computed Properties

  • Exact Mass: 166.074227566g/mol
  • Monoisotopic Mass: 166.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • Boiling Point: 296.4±20.0℃ at 760 mmHg

Ethyl 3-methylpyridazine-4-carboxylate Pricemore >>

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Additional information on Ethyl 3-methylpyridazine-4-carboxylate

Ethyl 3-methylpyridazine-4-carboxylate (CAS No. 98832-80-5): A Key Intermediate in Modern Pharmaceutical Synthesis

Ethyl 3-methylpyridazine-4-carboxylate (CAS No. 98832-80-5) is a versatile chemical compound that has garnered significant attention in the field of pharmaceutical synthesis. This compound, characterized by its unique pyridazine core structure, serves as a crucial intermediate in the development of various therapeutic agents. Its molecular formula and structural properties make it an attractive candidate for further chemical modifications, enabling the synthesis of complex molecules with potential pharmacological activity.

The Ethyl 3-methylpyridazine-4-carboxylate molecule is derived from pyridazine, a heterocyclic aromatic compound that is widely recognized for its role in medicinal chemistry. The presence of the ester group at the 4-position and the methyl substituent at the 3-position enhances its reactivity, making it a valuable building block for drug discovery programs. Recent advancements in synthetic methodologies have further highlighted its importance, particularly in the construction of novel bioactive scaffolds.

In recent years, there has been a growing interest in exploring the pharmacological potential of pyridazine derivatives. Studies have demonstrated that compounds containing this motif exhibit a wide range of biological activities, including anti-inflammatory, antiviral, and anticancer properties. The Ethyl 3-methylpyridazine-4-carboxylate (CAS No. 98832-80-5) derivative has been investigated as a precursor for synthesizing molecules that target specific disease pathways. For instance, researchers have utilized this compound to develop inhibitors of enzymes involved in cancer metabolism, showcasing its utility in oncology research.

The synthesis of Ethyl 3-methylpyridazine-4-carboxylate involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Modern synthetic techniques, such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, have been employed to optimize the production process. These methods not only improve efficiency but also minimize environmental impact, aligning with the principles of green chemistry.

One of the most compelling aspects of Ethyl 3-methylpyridazine-4-carboxylate is its adaptability in medicinal chemistry. The pyridazine ring can be functionalized in numerous ways, allowing chemists to tailor the molecule's properties for specific therapeutic applications. For example, researchers have explored its use in designing small-molecule drugs that interact with biological targets with high selectivity. This flexibility has made it a preferred choice for drug discovery teams seeking innovative solutions to complex therapeutic challenges.

The role of computational chemistry has also been instrumental in understanding the behavior of Ethyl 3-methylpyridazine-4-carboxylate. Advanced computational methods enable scientists to predict molecular interactions and optimize drug design strategies before conducting experimental work. This approach has accelerated the development pipeline for new pharmaceuticals and reduced the time required to bring innovative therapies to market.

In conclusion, Ethyl 3-methylpyridazine-4-carboxylate (CAS No. 98832-80-5) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and reactivity make it an invaluable intermediate for synthesizing novel bioactive compounds. As research continues to uncover new therapeutic applications, this compound is poised to play an even greater role in the development of next-generation medicines.

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