Cas no 65996-17-0 (ethyl 2-bromo-4-methyl-pyridine-3-carboxylate)

Ethyl 2-bromo-4-methyl-pyridine-3-carboxylate is a brominated pyridine derivative with a methyl substituent at the 4-position and an ester functional group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both bromine and ester groups enhances its reactivity, enabling efficient cross-coupling reactions, nucleophilic substitutions, and further functionalization. Its stable structure and well-defined reactivity profile make it a valuable building block for constructing complex heterocyclic frameworks. The compound is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible synthetic outcomes.
ethyl 2-bromo-4-methyl-pyridine-3-carboxylate structure
65996-17-0 structure
Product Name:ethyl 2-bromo-4-methyl-pyridine-3-carboxylate
CAS No:65996-17-0
MF:C9H10BrNO2
MW:244.085201740265
MDL:MFCD16610942
CID:1067595
PubChem ID:14080996
Update Time:2025-06-13

ethyl 2-bromo-4-methyl-pyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-methyl-nicotinic acid ethyl ester
    • ethyl 2-bromo-4-methylnicotinate
    • 2-bromo-4-methyl-3-pyridinecarboxylic acid ethyl ester
    • Aethyl-2-brom-4-methylnicotinat
    • AG-L-58598
    • AGN-PC-000CDE
    • CTK6F5206
    • KB-111610
    • PubChem23852
    • ethyl 2-bromo-4-methyl-pyridine-3-carboxylate
    • DTXSID00555565
    • MFCD16610942
    • SCHEMBL1260935
    • CS-0103544
    • 65996-17-0
    • AS-5619
    • AKOS015838681
    • ethyl2-bromo-4-methylnicotinate
    • ethyl 2-bromo-4-methylpyridine-3-carboxylate
    • SY283657
    • DB-401070
    • MDL： MFCD16610942
    • Inchi： 1S/C9H10BrNO2/c1-3-13-9(12)7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3
    • InChI Key： DACPMMXAXKJTNU-UHFFFAOYSA-N
    • SMILES： BrC1C(C(=O)OCC)=C(C)C=CN=1

Computed Properties

  • Exact Mass: 242.98949g/mol
  • Monoisotopic Mass: 242.98949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 2.5
  • Topological Polar Surface Area: 39.2?2

ethyl 2-bromo-4-methyl-pyridine-3-carboxylate Security Information

  • HazardClass：IRRITANT

ethyl 2-bromo-4-methyl-pyridine-3-carboxylate Pricemore >>

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ethyl 2-bromo-4-methyl-pyridine-3-carboxylate Related Literature

Related Categories

Additional information on ethyl 2-bromo-4-methyl-pyridine-3-carboxylate

Research Brief on Ethyl 2-Bromo-4-methyl-pyridine-3-carboxylate (CAS: 65996-17-0) in Chemical and Biomedical Applications

Ethyl 2-bromo-4-methyl-pyridine-3-carboxylate (CAS: 65996-17-0) is a key intermediate in the synthesis of various pharmacologically active compounds. Recent studies have highlighted its significance in medicinal chemistry, particularly in the development of kinase inhibitors and other small-molecule therapeutics. This research brief consolidates the latest findings on its synthetic applications, biological relevance, and potential industrial uses, providing a comprehensive overview for researchers and industry professionals.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of ethyl 2-bromo-4-methyl-pyridine-3-carboxylate as a precursor in the synthesis of novel pyridine-based kinase inhibitors. The compound's bromo and ester functional groups allow for versatile modifications, enabling the creation of targeted therapies for cancer and inflammatory diseases. Researchers employed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, to derivatize the core structure, yielding compounds with nanomolar inhibitory activity against specific kinases.

In addition to its role in drug discovery, ethyl 2-bromo-4-methyl-pyridine-3-carboxylate has been investigated for its potential in agrochemical applications. A 2022 patent (WO2022156789) disclosed its use in synthesizing herbicides with enhanced selectivity and reduced environmental toxicity. The methyl and bromo substituents on the pyridine ring were found to improve binding affinity to plant-specific enzymes, offering a promising avenue for sustainable agriculture.

Recent advancements in synthetic methodologies have also optimized the production of ethyl 2-bromo-4-methyl-pyridine-3-carboxylate. A 2023 Organic Process Research & Development article reported a high-yield, scalable synthesis using continuous-flow chemistry, reducing waste and improving cost-efficiency. This innovation addresses previous challenges in large-scale manufacturing, making the compound more accessible for industrial applications.

Ongoing research explores the compound's potential in radiopharmaceuticals, where its bromo group serves as a handle for isotopic labeling (e.g., with 18F or 76Br). Preliminary results from a 2024 preclinical study suggest its derivatives could be used in positron emission tomography (PET) imaging for neurodegenerative diseases. Further validation is underway to assess their pharmacokinetic and safety profiles.

In conclusion, ethyl 2-bromo-4-methyl-pyridine-3-carboxylate (65996-17-0) remains a versatile scaffold in chemical and biomedical research. Its applications span drug discovery, agrochemicals, and diagnostics, supported by continuous methodological improvements. Future studies should focus on expanding its therapeutic index and exploring novel derivatives to unlock untapped potential.

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