Cas no 1639974-14-3 (4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester)

4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester is a brominated thiazole derivative with a tert-butyl ester functional group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of the bromo substituent enhances its reactivity, making it valuable for cross-coupling reactions and further functionalization. The tert-butyl ester group offers improved stability and solubility in organic solvents, facilitating handling and purification. Its structural features make it a versatile building block for constructing complex heterocyclic frameworks. The compound is typically handled under controlled conditions due to its sensitivity to moisture and strong acids or bases.
4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester structure
1639974-14-3 structure
Product Name:4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester
CAS No:1639974-14-3
MF:C8H10BrNO2S
MW:264.139500141144
CID:6101668
PubChem ID:117753281
Update Time:2025-10-31

4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester
    • Tert-butyl 5-bromo-1,3-thiazole-4-carboxylate
    • EN300-5257734
    • SCHEMBL16311074
    • 1639974-14-3
    • Inchi: 1S/C8H10BrNO2S/c1-8(2,3)12-7(11)5-6(9)13-4-10-5/h4H,1-3H3
    • InChI Key: OKGMKPIEMPSIIQ-UHFFFAOYSA-N
    • SMILES: S1C(Br)=C(C(OC(C)(C)C)=O)N=C1

Computed Properties

  • Exact Mass: 262.96156g/mol
  • Monoisotopic Mass: 262.96156g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 205
  • 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

Experimental Properties

  • Density: 1.502±0.06 g/cm3(Predicted)
  • Boiling Point: 303.4±22.0 °C(Predicted)
  • pka: -1.53±0.10(Predicted)

4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester Pricemore >>

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Additional information on 4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester

Comprehensive Overview of 4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester (CAS No. 1639974-14-3)

4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester (CAS No. 1639974-14-3) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. This thiazole-derived ester exhibits unique chemical properties, making it a valuable intermediate in the synthesis of bioactive molecules. Its molecular structure features a bromine substituent at the 5-position, enhancing reactivity in cross-coupling reactions, while the tert-butyl ester group provides steric protection for sensitive functional groups.

In recent years, the demand for heterocyclic compounds like 4-Thiazolecarboxylic acid derivatives has surged due to their applications in drug discovery. Researchers frequently search for "5-bromo thiazole synthesis" or "CAS 1639974-14-3 supplier," reflecting its relevance in medicinal chemistry. The compound’s role in developing kinase inhibitors and antimicrobial agents aligns with trending topics such as "antibiotic resistance solutions" and "targeted cancer therapies," underscoring its scientific importance.

The synthetic versatility of CAS 1639974-14-3 is evident in its use for Pd-catalyzed couplings, a technique pivotal in modern organic synthesis. Laboratories often optimize protocols for "tert-butyl ester deprotection" or "bromo-thiazole functionalization," highlighting key challenges addressed by this compound. Its stability under acidic conditions further makes it preferable for multi-step reactions, a feature frequently discussed in forums on "green chemistry alternatives."

From an industrial perspective, 4-Thiazolecarboxylic acid esters are critical in scaling up production of crop protection agents. With rising interest in "sustainable agrochemicals," this compound’s efficiency in derivatization reactions positions it as a candidate for eco-friendly formulations. Analytical studies focusing on "HPLC purity analysis" or "NMR characterization of thiazoles" often reference its well-defined spectral data.

Regulatory compliance and safety profiles of 1639974-14-3 are also frequently queried. While non-hazardous under standard conditions, proper handling guidelines for "brominated organic compounds" are emphasized in safety datasheets. The compound’s low volatility and compatibility with common solvents like DMF or THF enhance its practicality in industrial settings.

In conclusion, 4-Thiazolecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester represents a cornerstone in synthetic chemistry, bridging academic research and industrial applications. Its alignment with cutting-edge trends like "precision medicine" and "biodegradable pesticides" ensures sustained relevance. For detailed technical specifications or procurement inquiries, consult certified suppliers adhering to ISO standards for chemical purity.

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