Cas no 98832-79-2 (ethyl 4-methylpyridazine-3-carboxylate)

Ethyl 4-methylpyridazine-3-carboxylate is a pyridazine derivative with applications in pharmaceutical and agrochemical research. Its structure features a carboxylate ester group at the 3-position and a methyl substituent at the 4-position, offering versatility as a building block for heterocyclic synthesis. The compound is valued for its reactivity in nucleophilic substitution and cyclization reactions, enabling the construction of complex molecular frameworks. Its ester functionality facilitates further derivatization, while the pyridazine core contributes to potential bioactivity. The product is typically characterized by high purity and stability, making it suitable for use in medicinal chemistry and material science applications. Proper handling under standard laboratory conditions is recommended.
ethyl 4-methylpyridazine-3-carboxylate structure
98832-79-2 structure
Product Name:ethyl 4-methylpyridazine-3-carboxylate
CAS No:98832-79-2
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD21642044
CID:802083
PubChem ID:13433350
Update Time:2025-11-02

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

Names and Identifiers

    • 3-Pyridazinecarboxylicacid, 4-methyl-, ethyl ester
    • 3-Pyridazinecarboxylicacid,4-methyl-,ethylester(9CI)
    • 4-Methyl-pyridazine-3-carboxylic acid ethyl ester
    • ethyl 4-methylpyridazine-3-carboxylate
    • CS-0057270
    • PB13973
    • P12979
    • 3-Pyridazinecarboxylic acid, 4-methyl-, ethyl ester
    • SCHEMBL353413
    • MFCD21642044
    • SY279473
    • VGSUIHOZLHITCE-UHFFFAOYSA-N
    • 98832-79-2
    • 4-METHYL-PYRIDAZINE-3-CARBOXYLICACIDETHYLESTER
    • MDL: MFCD21642044
    • Inchi: 1S/C8H10N2O2/c1-3-12-8(11)7-6(2)4-5-9-10-7/h4-5H,3H2,1-2H3
    • InChI Key: VGSUIHOZLHITCE-UHFFFAOYSA-N
    • SMILES: O(C(C1=C(C=CN=N1)C)=O)CC

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: 0.8
  • Topological Polar Surface Area: 52.1?2

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ethyl 4-methylpyridazine-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Solvents: Water ;  rt → -10 °C; < 0 °C; 15 min
1.2 Reagents: Sulfuric acid ,  Ferrous sulfate Solvents: Dichloromethane ,  Water ;  rt → -5 °C; < 0 °C; 15 min
1.3 Reagents: Water Solvents: Ethyl acetate ;  3 h
1.4 Reagents: Sodium sulfite Solvents: Water ;  overnight
Reference
Preparation of antibacterial amide and sulfonamide substituted heterocyclic urea compounds
, World Intellectual Property Organization, , ,

ethyl 4-methylpyridazine-3-carboxylate Raw materials

ethyl 4-methylpyridazine-3-carboxylate Preparation Products

Additional information on ethyl 4-methylpyridazine-3-carboxylate

Ethyl 4-Methylpyridazine-3-Carboxylate (CAS No. 98832-79-2): Properties, Applications, and Market Insights

Ethyl 4-methylpyridazine-3-carboxylate (CAS No. 98832-79-2) is a specialized organic compound belonging to the pyridazine family. This ester derivative has garnered significant attention in pharmaceutical and agrochemical research due to its versatile chemical structure. With the molecular formula C8H10N2O2, it serves as a key intermediate in synthesizing various biologically active molecules.

The compound features a pyridazine ring substituted with a methyl group at the 4-position and an ethyl ester moiety at the 3-position. This unique arrangement contributes to its reactivity and makes it valuable for heterocyclic chemistry applications. Researchers particularly value ethyl 4-methylpyridazine-3-carboxylate for its role in developing novel drug candidates, especially in neurological and anti-inflammatory therapies – areas currently experiencing rapid growth in the pharmaceutical sector.

Recent advancements in green chemistry have led to improved synthetic routes for CAS 98832-79-2, addressing the growing demand for sustainable production methods. The compound's stability under various conditions makes it suitable for diverse industrial applications, while its moderate solubility in organic solvents facilitates its use in laboratory settings. Analytical techniques like HPLC and NMR spectroscopy confirm its high purity, which is crucial for research applications.

In the pharmaceutical industry, 4-methylpyridazine derivatives have shown promise in addressing current healthcare challenges. The COVID-19 pandemic has accelerated research into broad-spectrum antiviral agents, and while not directly applicable, the structural features of ethyl pyridazine-3-carboxylate derivatives contribute to the development of novel therapeutic scaffolds. This connection to pandemic-related research has increased scientific interest in such compounds.

The agrochemical sector utilizes ethyl 4-methylpyridazine-3-carboxylate in developing next-generation crop protection agents. With global food security concerns and the push for sustainable agriculture, researchers are exploring pyridazine-based compounds as potential alternatives to traditional pesticides. The compound's structural flexibility allows for modifications that can enhance biodegradability while maintaining efficacy – a key consideration in modern agrochemical design.

Market analysis indicates steady growth in demand for pyridazine derivatives, driven by pharmaceutical innovation and agricultural needs. The compound 98832-79-2 serves as a building block for more complex molecules, positioning it as a valuable material in specialty chemicals. Current pricing trends reflect its niche status, with costs varying based on purity levels and order quantities from chemical suppliers.

From a regulatory perspective, ethyl 4-methylpyridazine-3-carboxylate is generally regarded as safe for research purposes when handled according to standard laboratory protocols. Its environmental impact appears minimal based on current ecotoxicological data, though proper disposal methods should always be followed. Researchers should consult the latest safety data sheets for specific handling instructions.

Future research directions for CAS 98832-79-2 include exploring its potential in materials science, particularly in organic electronics and photovoltaic applications. The compound's conjugated system and modifiable functional groups make it interesting for developing novel organic semiconductors – an area experiencing rapid growth due to renewable energy initiatives worldwide.

For laboratories working with 4-methylpyridazine-3-carboxylic acid ethyl ester, proper storage conditions include protection from moisture and extreme temperatures. The compound typically appears as a white to off-white crystalline powder with characteristic spectroscopic properties that aid in identification and quality control processes.

Recent patent literature reveals growing interest in pyridazine carboxylate derivatives for various applications, particularly in medicinal chemistry. This trend suggests that ethyl 4-methylpyridazine-3-carboxylate will maintain its importance as a research chemical in coming years. The compound's versatility continues to make it a subject of study in academic and industrial settings alike.

Analytical methods for 98832-79-2 typically involve reverse-phase HPLC with UV detection, though advanced techniques like LC-MS are increasingly used for impurity profiling. These quality control measures ensure the compound meets the stringent requirements of pharmaceutical research applications where purity is paramount.

The synthesis of ethyl 4-methylpyridazine-3-carboxylate typically involves condensation reactions starting from appropriately substituted pyridazine precursors. Recent process optimization efforts have focused on reducing solvent waste and improving yields – considerations that align with the pharmaceutical industry's increasing emphasis on sustainable chemistry practices.

In conclusion, ethyl 4-methylpyridazine-3-carboxylate (CAS No. 98832-79-2) represents an important building block in modern organic synthesis. Its applications span pharmaceutical development, agrochemical research, and emerging materials science applications. As research into heterocyclic compounds continues to expand, this compound will likely play an increasingly significant role in addressing current scientific and technological challenges across multiple disciplines.

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