Cas no 442903-28-8 (methyl 2,4-dichloropyridine-3-carboxylate)

Methyl 2,4-dichloropyridine-3-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its role in pharmaceutical and agrochemical applications. The compound features a dichlorinated pyridine core with an ester functional group, enhancing its reactivity for further derivatization. Its structural properties make it suitable for nucleophilic substitution reactions, enabling the synthesis of complex heterocyclic compounds. The methyl ester group offers additional flexibility for hydrolysis or transesterification, facilitating downstream modifications. High purity and stability under standard storage conditions ensure reliable performance in synthetic workflows. This compound is commonly employed in the development of active ingredients, demonstrating utility in both research and industrial-scale processes.
methyl 2,4-dichloropyridine-3-carboxylate structure
442903-28-8 structure
Product Name:methyl 2,4-dichloropyridine-3-carboxylate
CAS No:442903-28-8
MF:C7H5Cl2NO2
MW:206.026099920273
MDL:MFCD11100222
CID:838981
PubChem ID:27282740
Update Time:2025-05-20

methyl 2,4-dichloropyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,4-dichloronicotinate
    • 3-Pyridinecarboxylic acid, 2,4-dichloro-, Methyl ester
    • methyl 2,4-dichloropyridine-3-carboxylate
    • 2,4-Dichloro nicotinic acid Methyl ester
    • 2,4-Dichloro-3-(methoxycarbonyl)pyridine
    • BYS86
    • Methyl2,4-Dichloronicotinate
    • IBZIEMCFERTPNR-UHFFFAOYSA-N
    • BCP11645
    • SBB093574
    • OR46030
    • FCH1402270
    • TRA0169434
    • RP11994
    • PB14881
    • SY02
    • AC-33290
    • MFCD11100222
    • FC-0713
    • EN300-7358895
    • SY022680
    • Z1269207737
    • DTXSID80650749
    • SCHEMBL56989
    • CS-D1602
    • 442903-28-8
    • AKOS005072656
    • DB-360650
    • MDL: MFCD11100222
    • Inchi: 1S/C7H5Cl2NO2/c1-12-7(11)5-4(8)2-3-10-6(5)9/h2-3H,1H3
    • InChI Key: IBZIEMCFERTPNR-UHFFFAOYSA-N
    • SMILES: ClC1C=CN=C(C=1C(=O)OC)Cl

Computed Properties

  • Exact Mass: 204.97000
  • Monoisotopic Mass: 204.9697338g/mol
  • 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),
  • Boiling Point: 266.2±35.0 oC (760 Torr),
  • Flash Point: 114.8±25.9 oC,
  • Solubility: Slightly soluble (2.3 g/l) (25 o C),
  • PSA: 39.19000
  • LogP: 2.17500

methyl 2,4-dichloropyridine-3-carboxylate Security Information

methyl 2,4-dichloropyridine-3-carboxylate 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 2,4-dichloropyridine-3-carboxylate Production Method

Additional information on methyl 2,4-dichloropyridine-3-carboxylate

Comprehensive Analysis of Methyl 2,4-Dichloropyridine-3-carboxylate (CAS No. 442903-28-8): Properties, Applications, and Industry Trends

Methyl 2,4-dichloropyridine-3-carboxylate (CAS 442903-28-8) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique structural features. This chlorinated pyridine derivative serves as a versatile building block in synthetic chemistry, particularly for constructing nitrogen-containing heterocycles. The presence of both ester and dichloro substituents on the pyridine ring enables diverse reactivity patterns, making it valuable for designing bioactive molecules.

Recent studies highlight the compound's role in developing crop protection agents and pharmaceutical intermediates, aligning with growing demands for sustainable agriculture and targeted therapies. Researchers are exploring its potential in catalyzed cross-coupling reactions, where its electron-deficient pyridine core facilitates innovative bond-forming strategies. The methyl ester group offers additional synthetic flexibility, allowing straightforward derivatization through hydrolysis or transesterification.

From a molecular perspective, methyl 2,4-dichloropyridine-3-carboxylate exhibits interesting electronic properties due to the combined effects of ring nitrogen, electron-withdrawing substituents, and conjugation. These characteristics make it particularly useful in designing fluorescence probes and coordination complexes, addressing current interests in materials science and diagnostic technologies. Analytical techniques like HPLC-MS and NMR spectroscopy confirm its high purity (>98%) in commercial samples.

The compound's stability under various conditions has prompted investigations into green chemistry applications, especially in solvent-free reactions and continuous flow systems. Industry reports suggest growing adoption in parallel synthesis platforms for drug discovery, where its reliable reactivity profile accelerates library generation. Environmental considerations have led to improved waste minimization protocols during its production, reflecting broader sustainability trends in fine chemicals manufacturing.

Emerging patent literature reveals novel uses of CAS 442903-28-8 in electronic materials, particularly as a precursor for organic semiconductors. This aligns with global research into flexible electronics and energy storage solutions. The compound's crystallographic properties have also attracted attention, with studies demonstrating predictable packing motifs that inform solid-state chemistry principles.

Quality control standards for methyl 2,4-dichloropyridine carboxylate have become more stringent, driven by pharmaceutical industry requirements. Modern analytical methods now routinely include chiral purity assessment and trace metal analysis, ensuring compatibility with asymmetric synthesis applications. Storage recommendations typically emphasize protection from moisture and light to maintain stability over extended periods.

Supply chain data indicates steady growth in demand for this pyridine derivative, particularly from Asian manufacturing hubs specializing in high-value intermediates. Regulatory compliance remains straightforward as the compound falls outside controlled substance classifications, facilitating global trade. Technical specifications continue to evolve, with some suppliers now offering custom particle size distributions for optimized performance in specific applications.

Recent methodological advances have expanded the utility of 2,4-dichloropyridine-3-carboxylic acid methyl ester in bioconjugation chemistry. Its selective reactivity enables efficient modification of biomolecules, supporting progress in proteomics research and diagnostic reagent development. These applications capitalize on the compound's balance between stability and controlled reactivity under physiological conditions.

Thermodynamic studies of methyl 2,4-dichloropyridine-3-carboxylate provide valuable data for process optimization, with detailed characterization of its phase transition behaviors and solubility parameters. Such information proves critical when scaling up synthetic procedures or developing formulation strategies for end-use products. Computational chemistry approaches have successfully predicted many of these properties, demonstrating good agreement with experimental results.

The future outlook for CAS 442903-28-8 appears promising, with research expanding into catalysis and polymers science. Its structural features make it suitable for designing ligand systems in transition metal catalysis, while the aromatic core offers opportunities in high-performance materials. As synthetic methodologies advance, this compound will likely play an increasingly important role in developing next-generation functional materials and bioactive compounds.

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