Cas no 603124-78-3 (Methyl 2,3-dichloroisonicotinate)

Methyl 2,3-dichloroisonicotinate is a versatile chemical intermediate primarily used in pharmaceutical and agrochemical synthesis. Its dichlorinated pyridine structure offers high reactivity, making it valuable for constructing complex heterocyclic compounds. The ester group enhances solubility in organic solvents, facilitating further functionalization. This compound exhibits stability under standard storage conditions, ensuring consistent performance in reactions. Its precise halogenation pattern allows for selective modifications, enabling tailored applications in medicinal chemistry and crop protection research. The product is typically supplied with high purity, minimizing byproducts in downstream processes. Careful handling is recommended due to its potential reactivity with nucleophiles and strong bases.
Methyl 2,3-dichloroisonicotinate structure
603124-78-3 structure
Product Name:Methyl 2,3-dichloroisonicotinate
CAS No:603124-78-3
MF:C7H5Cl2NO2
MW:206.026099920273
MDL:MFCD09951946
CID:1036072
PubChem ID:45588256
Update Time:2025-10-22

Methyl 2,3-dichloroisonicotinate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,3-dichloroisonicotinate
    • Methyl 2,3-dichloroisonicotite
    • methyl 2,3-dichloropyridine-4-carboxylate
    • 2,3-Dichloroisonicotinic acid methyl ester
    • 2,3-Dichloropyridine-4-carboxylic acid methyl ester
    • AK114429
    • PFAVUXBECIRJIY-UHFFFAOYSA-N
    • 8988AB
    • SBB093573
    • FCH1396456
    • RP11992
    • OR303721
    • AX8182527
    • 2,3-Dichloro-isonicotinic acid met
    • AMY8041
    • CS-0042641
    • C13686
    • AC-33275
    • AKOS005072495
    • J-521887
    • SCHEMBL1970174
    • A869001
    • DTXSID00670601
    • DD-0723
    • 603124-78-3
    • DB-082583
    • METHYL2,3-DICHLOROISONICOTINATE
    • SY067843
    • MFCD09951946
    • 2,3-Dichloro-isonicotinic acid methyl ester
    • MDL: MFCD09951946
    • Inchi: 1S/C7H5Cl2NO2/c1-12-7(11)4-2-3-10-6(9)5(4)8/h2-3H,1H3
    • InChI Key: PFAVUXBECIRJIY-UHFFFAOYSA-N
    • SMILES: ClC1C(=NC=CC=1C(=O)OC)Cl

Computed Properties

  • Exact Mass: 204.97000
  • Monoisotopic Mass: 204.97
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 177
  • 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
  • Topological Polar Surface Area: 39.2
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.426±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 38-39°
  • Boiling Point: 280.3±35.0 oC (760 Torr),
  • Flash Point: 123.3±25.9 oC,
  • Refractive Index: 1.548
  • Solubility: Slightly soluble (1.6 g/l) (25 o C),
  • PSA: 39.19000
  • LogP: 2.17500

Methyl 2,3-dichloroisonicotinate Security Information

  • HazardClass:IRRITANT

Methyl 2,3-dichloroisonicotinate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Methyl 2,3-dichloroisonicotinate Related Literature

Additional information on Methyl 2,3-dichloroisonicotinate

Research Brief on Methyl 2,3-dichloroisonicotinate (CAS: 603124-78-3): Recent Advances and Applications

Methyl 2,3-dichloroisonicotinate (CAS: 603124-78-3) is a key intermediate in the synthesis of various biologically active compounds, particularly in the pharmaceutical and agrochemical industries. Recent studies have highlighted its significance in the development of novel therapeutic agents and crop protection chemicals. This research brief aims to provide an overview of the latest advancements related to this compound, focusing on its synthesis, applications, and potential future directions.

One of the most notable recent developments involves the optimization of synthetic routes for Methyl 2,3-dichloroisonicotinate. Researchers have reported improved yields and reduced environmental impact through the use of catalytic methods and greener solvents. These advancements not only enhance the scalability of production but also align with the growing emphasis on sustainable chemistry in industrial applications.

In the pharmaceutical sector, Methyl 2,3-dichloroisonicotinate has been identified as a crucial building block for the synthesis of kinase inhibitors. A 2023 study demonstrated its utility in the development of novel compounds targeting specific cancer pathways, showing promising results in preclinical models. The compound's unique structural features allow for precise modifications that can enhance drug efficacy and reduce off-target effects.

Agrochemical research has also benefited from innovations involving this compound. Recent patents describe its incorporation into next-generation fungicides with improved activity against resistant strains of plant pathogens. The dichloro-substituted pyridine moiety provides enhanced binding affinity to target enzymes while maintaining favorable environmental profiles.

Analytical characterization techniques for Methyl 2,3-dichloroisonicotinate have seen significant improvements. Advanced spectroscopic methods, including high-resolution mass spectrometry and multidimensional NMR, now enable more accurate quality control and impurity profiling. These developments are particularly important for regulatory compliance and ensuring batch-to-batch consistency in industrial production.

Looking forward, researchers are exploring the potential of Methyl 2,3-dichloroisonicotinate in emerging areas such as PROTAC (proteolysis targeting chimera) technology and covalent inhibitor design. Its versatile chemistry makes it an attractive scaffold for these innovative therapeutic approaches. Additionally, computational modeling studies are providing new insights into structure-activity relationships that may guide future molecular design efforts.

In conclusion, Methyl 2,3-dichloroisonicotinate continues to be a valuable compound in chemical biology and medicinal chemistry research. The recent advancements in its synthesis and applications demonstrate its ongoing relevance in addressing current challenges in drug discovery and crop protection. Future research directions will likely focus on expanding its utility through innovative synthetic methodologies and exploring novel biological targets.

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