Cas no 79247-82-8 (Methyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate)

Methyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate is a versatile heterocyclic compound featuring a reactive bromo substituent and an electron-withdrawing trifluoromethyl group, making it a valuable intermediate in organic synthesis. The ester functionality enhances its solubility and reactivity, facilitating further derivatization. Its thiazole core is significant in pharmaceutical and agrochemical applications, particularly in the development of bioactive molecules. The presence of both bromine and trifluoromethyl groups allows for selective cross-coupling reactions, enabling precise structural modifications. This compound is particularly useful in medicinal chemistry for constructing complex scaffolds with potential biological activity. Its stability and well-defined reactivity profile make it a reliable building block for research and industrial applications.
Methyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate structure
79247-82-8 structure
Product Name:Methyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate
CAS No:79247-82-8
MF:C6H3BrF3NO2S
MW:290.057729959488
CID:1089077
PubChem ID:71721379
Update Time:2025-06-09

Methyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate
    • methyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
    • DTXSID90856977
    • Methyl2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate
    • 79247-82-8
    • CJKJQYOCLDGPOB-UHFFFAOYSA-N
    • Inchi： 1S/C6H3BrF3NO2S/c1-13-4(12)2-3(6(8,9)10)11-5(7)14-2/h1H3
    • InChI Key： CJKJQYOCLDGPOB-UHFFFAOYSA-N
    • SMILES： BrC1=NC(C(F)(F)F)=C(C(=O)OC)S1

Computed Properties

  • Exact Mass: 288.90200g/mol
  • Monoisotopic Mass: 288.90200g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 238
  • 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: 3.1
  • Topological Polar Surface Area: 67.4?2

Methyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate Pricemore >>

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