Cas no 1823898-69-6 (Methyl 2-bromo-4-methyloxazole-5-carboxylate)

Methyl 2-bromo-4-methyloxazole-5-carboxylate structure
1823898-69-6 structure
Product Name:Methyl 2-bromo-4-methyloxazole-5-carboxylate
CAS No:1823898-69-6
MF:C6H6BrNO3
MW:220.02074098587
MDL:MFCD27922819
CID:4673626
PubChem ID:71721190
Update Time:2025-07-18

Methyl 2-bromo-4-methyloxazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-bromo-4-methyloxazole-5-carboxylate
    • FCH2496361
    • AX8260263
    • methyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate
    • 2-Bromo-4-methyl-oxazole-5-carboxylic acid methyl ester
    • SB34563
    • YXC89869
    • 1823898-69-6
    • MFCD27922819
    • CS-0341756
    • SCHEMBL22308295
    • Methyl2-bromo-4-methyloxazole-5-carboxylate
    • MDL: MFCD27922819
    • Inchi: 1S/C6H6BrNO3/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3
    • InChI Key: JIDRKEXRLWTUPY-UHFFFAOYSA-N
    • SMILES: BrC1=NC(C)=C(C(=O)OC)O1

Computed Properties

  • Exact Mass: 218.95311g/mol
  • Monoisotopic Mass: 218.95311g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 164
  • 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: 52.3
  • XLogP3: 1.9

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Additional information on Methyl 2-bromo-4-methyloxazole-5-carboxylate

Methyl 2-bromo-4-methyloxazole-5-carboxylate (CAS No. 1823898-69-6): A Comprehensive Overview

Methyl 2-bromo-4-methyloxazole-5-carboxylate (CAS No. 1823898-69-6) is a versatile organic compound that has garnered significant attention in the fields of chemical synthesis and pharmaceutical research. This compound, characterized by its unique structural features, has shown promise in various applications, particularly in the development of novel therapeutic agents and as a key intermediate in the synthesis of complex molecules.

The molecular structure of Methyl 2-bromo-4-methyloxazole-5-carboxylate consists of a methyloxazole ring with a bromine substituent at the 2-position and a methyl ester group at the 5-position. The presence of these functional groups imparts distinct chemical properties, making it an attractive candidate for a wide range of synthetic transformations. Recent studies have highlighted its potential as a building block in the synthesis of bioactive compounds, particularly those with anti-inflammatory and anti-cancer properties.

In the realm of pharmaceutical research, Methyl 2-bromo-4-methyloxazole-5-carboxylate has been explored for its role in the development of new drugs. One notable application is its use as an intermediate in the synthesis of small molecules that target specific biological pathways. For instance, researchers have utilized this compound to synthesize inhibitors of kinases, which are enzymes involved in cell signaling and are often implicated in various diseases, including cancer and autoimmune disorders.

Recent advancements in synthetic methodologies have also contributed to the increased interest in Methyl 2-bromo-4-methyloxazole-5-carboxylate. The development of efficient and scalable synthetic routes has facilitated its production on both laboratory and industrial scales. These methods often involve palladium-catalyzed cross-coupling reactions, which are known for their high selectivity and yield. Such advancements not only enhance the availability of this compound but also reduce the overall cost and environmental impact associated with its production.

The biological activity of Methyl 2-bromo-4-methyloxazole-5-carboxylate has been investigated through various in vitro and in vivo studies. In one study, it was found to exhibit potent anti-inflammatory effects by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. Additionally, preliminary data suggest that derivatives of this compound may have antiproliferative properties, making them potential candidates for further development as anticancer agents.

From a safety perspective, Methyl 2-bromo-4-methyloxazole-5-carboxylate is generally considered to be stable under standard laboratory conditions. However, like many organic compounds, it should be handled with care to avoid exposure to skin or inhalation. Proper storage conditions, such as keeping it in a cool, dry place away from direct sunlight, are recommended to maintain its integrity and effectiveness.

In conclusion, Methyl 2-bromo-4-methyloxazole-5-carboxylate (CAS No. 1823898-69-6) is a valuable compound with a broad range of applications in chemical synthesis and pharmaceutical research. Its unique structural features and versatile reactivity make it an important tool for scientists working on the development of new drugs and bioactive molecules. As research continues to uncover new possibilities for this compound, it is likely to play an increasingly significant role in advancing our understanding and treatment of various diseases.

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