Cas no 98490-71-2 (Propyl 6-chloropyridazine-3-carboxylate)

Propyl 6-chloropyridazine-3-carboxylate is a pyridazine derivative with notable utility as a synthetic intermediate in pharmaceutical and agrochemical applications. Its chlorinated pyridazine core provides a reactive site for further functionalization, enabling the synthesis of more complex heterocyclic compounds. The propyl ester group enhances solubility in organic solvents, facilitating its use in various coupling and substitution reactions. This compound is particularly valued for its stability under standard conditions and its compatibility with a range of reaction conditions, making it a versatile building block in medicinal chemistry and crop protection research. High purity grades are available to ensure reproducibility in synthetic workflows.
Propyl 6-chloropyridazine-3-carboxylate structure
98490-71-2 structure
Product Name:Propyl 6-chloropyridazine-3-carboxylate
CAS No:98490-71-2
MF:C8H9ClN2O2
MW:200.622260808945
CID:1084331
PubChem ID:25067379
Update Time:2025-10-30

Propyl 6-chloropyridazine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Propyl 6-chloropyridazine-3-carboxylate
    • 3-PYRIDAZINECARBOXYLIC ACID, 6-CHLORO-, PROPYL ESTER
    • 6-Chloro-3-pyridazinecarboxylic acid propyl ester
    • Propyl6-chloropyridazine-3-carboxylate
    • AKOS013153845
    • 98490-71-2
    • Inchi: 1S/C8H9ClN2O2/c1-2-5-13-8(12)6-3-4-7(9)11-10-6/h3-4H,2,5H2,1H3
    • InChI Key: TYWAMYLZKSDDKD-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=O)OCCC)N=N1

Computed Properties

  • Exact Mass: 200.035
  • Monoisotopic Mass: 200.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 178
  • 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: 0.6
  • Topological Polar Surface Area: 52.1A^2

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Additional information on Propyl 6-chloropyridazine-3-carboxylate

Recent Advances in the Study of Propyl 6-chloropyridazine-3-carboxylate (CAS: 98490-71-2)

Propyl 6-chloropyridazine-3-carboxylate (CAS: 98490-71-2) is a pyridazine derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential applications in drug discovery and development. Recent studies have focused on its synthesis, structural modifications, and biological activities, particularly its role as a key intermediate in the preparation of pharmacologically active compounds. This research brief aims to provide an overview of the latest findings related to this compound, highlighting its significance in current scientific investigations.

One of the most notable advancements in the study of Propyl 6-chloropyridazine-3-carboxylate is its application in the synthesis of novel heterocyclic compounds. Researchers have utilized this compound as a building block to develop a series of pyridazine-based derivatives with potential antimicrobial and anticancer properties. A 2023 study published in the *Journal of Medicinal Chemistry* demonstrated that modifications at the 6-position of the pyridazine ring, including the introduction of various substituents, could significantly enhance the compound's bioactivity. The study reported that certain derivatives exhibited potent inhibitory effects against a range of bacterial strains, including methicillin-resistant *Staphylococcus aureus* (MRSA).

In addition to its antimicrobial potential, Propyl 6-chloropyridazine-3-carboxylate has also been investigated for its role in central nervous system (CNS) drug development. A recent preprint article on *bioRxiv* highlighted its utility as a precursor for the synthesis of GABAA receptor modulators. The study revealed that structural analogs of this compound displayed promising anxiolytic and anticonvulsant activities in preclinical models, suggesting its potential for treating neurological disorders such as epilepsy and anxiety.

Another area of interest is the compound's application in agrochemical research. A 2022 report in *Pest Management Science* described the use of Propyl 6-chloropyridazine-3-carboxylate in the development of new herbicides. The study found that derivatives of this compound exhibited selective herbicidal activity against broadleaf weeds, with minimal toxicity to crops. This finding underscores its potential as a sustainable alternative to traditional herbicides, aligning with the growing demand for environmentally friendly agrochemicals.

Despite these promising developments, challenges remain in optimizing the synthesis and scalability of Propyl 6-chloropyridazine-3-carboxylate. A recent review in *Organic Process Research & Development* discussed the need for more efficient catalytic systems to improve the yield and purity of this compound. The review also emphasized the importance of green chemistry principles in its production, given the increasing regulatory pressures on chemical manufacturing processes.

In conclusion, Propyl 6-chloropyridazine-3-carboxylate (CAS: 98490-71-2) continues to be a versatile and valuable compound in chemical biology and medicinal chemistry. Its applications span antimicrobial drug discovery, CNS therapeutics, and agrochemical development, reflecting its broad utility. Future research should focus on addressing synthetic challenges and exploring its potential in emerging therapeutic areas, such as immunotherapy and precision medicine. As the field advances, this compound is likely to remain a focal point of interdisciplinary research efforts.

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