Cas no 1244949-48-1 (4-Bromothiazole-5-carboxylic acid)

4-Bromothiazole-5-carboxylic acid is a heterocyclic building block widely used in pharmaceutical and agrochemical research. Its bromine and carboxylic acid functional groups enable versatile reactivity, facilitating cross-coupling reactions, nucleophilic substitutions, and further derivatization. The thiazole core contributes to its utility in designing bioactive molecules, particularly in medicinal chemistry for drug discovery. This compound is valued for its stability, high purity, and compatibility with a range of synthetic transformations. Its structural features make it a key intermediate in the synthesis of complex molecules, including potential therapeutic agents and specialty chemicals. Proper handling under controlled conditions is recommended due to its reactive functional groups.
4-Bromothiazole-5-carboxylic acid structure
1244949-48-1 structure
Product Name:4-Bromothiazole-5-carboxylic acid
CAS No:1244949-48-1
MF:C4H2BrNO2S
MW:208.033178806305
MDL:MFCD11111596
CID:830029
PubChem ID:45480409
Update Time:2025-08-02

4-Bromothiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Bromothiazole-5-carboxylic acid
    • 4-bromo-1,3-thiazole-5-carboxylic acid
    • 4-bromothiazole-5-carboxylicacid
    • MFCD11111596
    • SCHEMBL4594949
    • CS-0193290
    • Z1269211889
    • C4H2BrNO2S
    • 1244949-48-1
    • DB-367638
    • DTXSID30670356
    • EN300-125604
    • CHEMBL5204330
    • 5-Thiazolecarboxylic acid, 4-bromo-
    • AKOS016015984
    • AS-43034
    • MDL: MFCD11111596
    • Inchi: 1S/C4H2BrNO2S/c5-3-2(4(7)8)9-1-6-3/h1H,(H,7,8)
    • InChI Key: GQCIIZJOGXFYNG-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=O)O)SC=N1

Computed Properties

  • Exact Mass: 206.89896g/mol
  • Monoisotopic Mass: 206.89896g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 132
  • 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: 1.8
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Density: 2.062

4-Bromothiazole-5-carboxylic acid Security Information

4-Bromothiazole-5-carboxylic acid Pricemore >>

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Additional information on 4-Bromothiazole-5-carboxylic acid

4-Bromothiazole-5-carboxylic Acid: A Comprehensive Overview

4-Bromothiazole-5-carboxylic acid, also known by its CAS number CAS No. 1244949-48-1, is a chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound, characterized by its thiazole ring structure with a bromine substituent at the 4-position and a carboxylic acid group at the 5-position, exhibits unique chemical properties that make it valuable for various applications.

The synthesis of 4-bromothiazole-5-carboxylic acid typically involves multi-step reactions, often starting from simpler precursors such as thioamides or thioureas. Recent advancements in synthetic methodologies have enabled more efficient and scalable production of this compound, which is crucial for its potential commercial applications. Researchers have explored various catalytic systems and reaction conditions to optimize the yield and purity of this compound, ensuring its suitability for high-performance applications.

In terms of chemical properties, 4-bromothiazole-5-carboxylic acid is known for its thermal stability and reactivity under specific conditions. The presence of the bromine atom introduces electron-withdrawing effects, which influence the electronic properties of the molecule. This makes it a promising candidate for use in advanced materials such as organic semiconductors and sensors. Recent studies have demonstrated its ability to act as a building block in the construction of two-dimensional materials, where its electronic characteristics contribute to enhanced charge transport properties.

The biological activity of 4-bromothiazole-5-carboxylic acid has also been a focal point of research. Preliminary assays indicate that this compound may exhibit antimicrobial or anti-inflammatory properties, making it a potential lead compound in drug discovery efforts. Collaborative efforts between chemists and biologists have led to the identification of specific pathways where this compound could exert its effects, paving the way for further preclinical studies.

From an analytical perspective, the characterization of 4-bromothiazole-5-carboxylic acid has benefited from modern spectroscopic techniques such as NMR and IR spectroscopy. These methods provide detailed insights into the molecular structure and bonding patterns, which are essential for understanding its reactivity and functionality. Additionally, computational chemistry approaches have been employed to model the electronic structure of this compound, offering valuable predictions about its behavior in different chemical environments.

In conclusion, 4-bromothiazole-5-carboxylic acid, with its unique structural features and versatile chemical properties, represents a significant advancement in organic chemistry. Its potential applications span across multiple disciplines, from materials science to pharmacology, underscoring its importance as a research topic. As ongoing studies continue to uncover new aspects of this compound's behavior and utility, it is poised to play an increasingly prominent role in both academic research and industrial applications.

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