Cas no 1214336-33-0 (methyl 2-bromo-5-chloropyridine-4-carboxylate)

Methyl 2-bromo-5-chloropyridine-4-carboxylate is a versatile heterocyclic building block widely used in pharmaceutical and agrochemical synthesis. This compound features both bromo and chloro substituents on the pyridine ring, enhancing its reactivity in cross-coupling reactions such as Suzuki or Buchwald-Hartwig aminations. The ester group at the 4-position provides additional functionalization opportunities, including hydrolysis or reduction. Its high purity and stability make it suitable for demanding synthetic applications. The compound is particularly valuable in the development of active pharmaceutical ingredients (APIs) and specialty chemicals, where precise functional group manipulation is required. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
methyl 2-bromo-5-chloropyridine-4-carboxylate structure
1214336-33-0 structure
Product Name:methyl 2-bromo-5-chloropyridine-4-carboxylate
CAS No:1214336-33-0
MF:C7H5BrClNO2
MW:250.477100133896
MDL:MFCD14698101
CID:2129305
PubChem ID:46311193
Update Time:2025-10-18

methyl 2-bromo-5-chloropyridine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-5-chloroisonicotinic acid methyl ester
    • Methyl 2-bromo-5-chloroisonicotinate
    • methyl 2-bromo-5-chloropyridine-4-carboxylate
    • SB21124
    • FCH1386930
    • AK204222
    • Methyl 2-bromo-5-chloro-4-pyridinecarboxylate
    • 4-Pyridinecarboxylic acid, 2-bromo-5-chloro-, methyl ester
    • Methyl2-bromo-5-chloroisonicotinate
    • MFCD14698101
    • DB-023442
    • SCHEMBL23214285
    • AS-32936
    • SY033128
    • 1214336-33-0
    • CS-D0439
    • AKOS027254004
    • 897-522-1
    • MDL: MFCD14698101
    • Inchi: 1S/C7H5BrClNO2/c1-12-7(11)4-2-6(8)10-3-5(4)9/h2-3H,1H3
    • InChI Key: ULWWIJRKBREIRR-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C(=O)OC)=C(C=N1)Cl

Computed Properties

  • Exact Mass: 248.91922g/mol
  • Monoisotopic Mass: 248.91922g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 2.4

methyl 2-bromo-5-chloropyridine-4-carboxylate Pricemore >>

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Additional information on methyl 2-bromo-5-chloropyridine-4-carboxylate

Comprehensive Overview of Methyl 2-Bromo-5-Chloropyridine-4-Carboxylate (CAS No. 1214336-33-0)

Methyl 2-bromo-5-chloropyridine-4-carboxylate (CAS No. 1214336-33-0) is a highly versatile heterocyclic compound widely utilized in pharmaceutical and agrochemical research. This pyridine derivative features a bromine and chlorine substitution pattern, along with a methyl ester functional group, making it a valuable intermediate in organic synthesis. Its molecular formula, C7H5BrClNO2, highlights its potential for diverse chemical transformations, particularly in cross-coupling reactions and catalyzed processes.

In recent years, the demand for methyl 2-bromo-5-chloropyridine-4-carboxylate has surged due to its role in developing small-molecule inhibitors and biologically active compounds. Researchers frequently search for "synthesis of pyridine carboxylates" or "applications of halogenated pyridines," reflecting its relevance in drug discovery. The compound’s electron-withdrawing groups enhance its reactivity in nucleophilic aromatic substitution (SNAr) reactions, a topic gaining traction in green chemistry discussions.

From an industrial perspective, CAS 1214336-33-0 is pivotal in optimizing process scalability and yield efficiency. Questions like "how to purify methyl 2-bromo-5-chloropyridine-4-carboxylate" or "stability under storage conditions" are common among chemists. The compound’s crystalline structure and solubility profiles are also critical for formulation studies, aligning with trends in high-throughput screening (HTS) methodologies.

Environmental and regulatory considerations further underscore the importance of methyl 2-bromo-5-chloropyridine-4-carboxylate. Searches for "eco-friendly synthesis routes" or "biodegradability of pyridine derivatives" highlight the shift toward sustainable practices. Innovations in catalytic reduction and solvent-free reactions are increasingly applied to minimize waste, resonating with the circular economy framework.

In summary, methyl 2-bromo-5-chloropyridine-4-carboxylate (CAS No. 1214336-33-0) bridges academic research and industrial applications, driven by its structural versatility and reactive sites. Its alignment with cutting-edge chemistry trends ensures continued relevance in scientific literature and patent filings.

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