Cas no 78451-13-5 (Ethyl 2-bromo-4-methyloxazole-5-carboxylate)

Ethyl 2-bromo-4-methyloxazole-5-carboxylate is a brominated oxazole derivative with significant utility in organic synthesis and pharmaceutical research. The compound features a reactive bromine substituent at the 2-position and an ester group at the 5-position, making it a versatile intermediate for further functionalization, such as cross-coupling reactions or nucleophilic substitutions. The methyl group at the 4-position enhances stability while maintaining reactivity. Its well-defined structure and high purity make it suitable for applications in heterocyclic chemistry, particularly in the development of bioactive molecules and agrochemicals. The ester moiety also allows for straightforward derivatization, facilitating its use in medicinal chemistry and material science.
Ethyl 2-bromo-4-methyloxazole-5-carboxylate structure
78451-13-5 structure
Product Name:Ethyl 2-bromo-4-methyloxazole-5-carboxylate
CAS No:78451-13-5
MF:C7H8BrNO3
MW:234.04732131958
MDL:MFCD12031295
CID:830302
PubChem ID:12785854
Update Time:2025-10-25

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

Names and Identifiers

    • Ethyl 2-bromo-4-methyloxazole-5-carboxylate
    • LogP
    • 2-bromo-4-methyl-5-Oxazolecarboxylic acid ethyl ester
    • 5-Oxazolecarboxylic acid, 2-bromo-4-methyl-, ethyl ester
    • ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate
    • ETHYL-2-BROMO-4-METHYL OXAZOLE-5-CARBOXYLATE
    • 2-Bromo-4-methyl-oxazole-5-carboxylic acid ethyl ester
    • AKOS015918613
    • AM9792
    • MFCD12031295
    • SCHEMBL11164366
    • DNPOJRGNNVJCRZ-UHFFFAOYSA-N
    • 78451-13-5
    • CS-0136181
    • AS-39173
    • ethyl2-bromo-4-methyloxazole-5-carboxylate
    • DTXSID20509803
    • EN300-352269
    • A865025
    • SB38753
    • FT-0726301
    • MDL: MFCD12031295
    • Inchi: 1S/C7H8BrNO3/c1-3-11-6(10)5-4(2)9-7(8)12-5/h3H2,1-2H3
    • InChI Key: DNPOJRGNNVJCRZ-UHFFFAOYSA-N
    • SMILES: BrC1=NC(C)=C(C(=O)OCC)O1

Computed Properties

  • Exact Mass: 232.96876g/mol
  • Monoisotopic Mass: 232.96876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 176
  • 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: 2.3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.536
  • Boiling Point: 281 oC
  • Flash Point: 123 oC

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

Ethyl 2-bromo-4-methyloxazole-5-carboxylate: A Comprehensive Overview

Ethyl 2-bromo-4-methyloxazole-5-carboxylate, identified by the CAS number 78451-13-5, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of oxazole derivatives, which are known for their diverse applications in drug discovery and material science. The structure of Ethyl 2-bromo-4-methyloxazole-5-carboxylate is characterized by a five-membered aromatic ring with an oxygen atom, a bromine substituent at position 2, a methyl group at position 4, and an ethyl ester group at position 5.

The synthesis of Ethyl 2-bromo-4-methyloxazole-5-carboxylate involves a series of well-established organic reactions, including nucleophilic substitution and cyclization processes. Recent advancements in synthetic methodologies have enabled the efficient production of this compound with high purity and yield. Researchers have explored various catalysts and reaction conditions to optimize the synthesis process, ensuring scalability for industrial applications.

Ethyl 2-bromo-4-methyloxazole-5-carboxylate has been extensively studied for its potential in drug development. The compound exhibits unique pharmacokinetic properties, making it a promising candidate for targeting specific biological pathways. Recent studies have highlighted its ability to modulate key enzymes involved in inflammatory responses, suggesting its potential as an anti-inflammatory agent.

In addition to its pharmacological applications, Ethyl 2-bromo-4-methyloxazole-5-carboxylate has shown promise in material science. Its structural features make it suitable for use as a precursor in the synthesis of advanced materials, such as polymers and nanomaterials. Researchers have explored its role in creating self-healing polymers, where the compound's reactivity plays a crucial role in enabling dynamic covalent bonding.

Recent research has also focused on the environmental impact of Ethyl 2-bromo-4-methyloxazole-5-carboxylate. Studies have been conducted to assess its biodegradability and toxicity profiles under various environmental conditions. These investigations are essential for ensuring the sustainable use of this compound in industrial and pharmaceutical applications.

In conclusion, Ethyl 2-bromo-4-methyloxazole-5-carboxylate (CAS No. 78451-13-5) is a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical properties and recent research findings underscore its potential as a valuable tool in drug discovery and material science. Continued exploration into its synthesis, applications, and environmental impact will undoubtedly lead to new breakthroughs in these fields.

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