Cas no 54001-36-4 (2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone)

2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone is a brominated thiazole derivative with significant utility in synthetic organic chemistry and pharmaceutical research. Its structure features a reactive α-bromo ketone moiety, making it a valuable intermediate for nucleophilic substitution and cross-coupling reactions. The presence of a 4-chlorophenyl group enhances its stability and potential for further functionalization. This compound is particularly useful in the synthesis of heterocyclic frameworks and bioactive molecules, offering precise control in complex molecular constructions. Its high purity and well-defined reactivity profile ensure consistent performance in laboratory-scale and industrial applications, supporting advancements in medicinal chemistry and material science.
2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone structure
54001-36-4 structure
Product Name:2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone
CAS No:54001-36-4
MF:C12H9BrClNOS
MW:330.62795996666
MDL:MFCD04115414
CID:841340
PubChem ID:2794647
Update Time:2025-11-04

2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
    • 2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
    • 2-bromo-1-[2-(4-chloro-phenyl)-4-methyl-thiazol-5-yl]-ethanone
    • 5-Bromacetyl-2-p-chlorophenyl-4-methylthiazol
    • 5-bromoacetyl-4-methyl-2-(4'-chlorophenyl)thiazole
    • HMS2596A11
    • 2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone
    • SMR000337120
    • 2-bromanyl-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
    • 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]ethanone
    • 54001-36-4
    • MLS000721489
    • CHEMBL1582305
    • DTXSID30383292
    • SCHEMBL18550718
    • 2-Bromo-1-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethanone
    • AKOS005094652
    • SR-01000309242
    • cid_2794647
    • SR-01000309242-1
    • MFCD04115414
    • BDBM72563
    • 5R-1001
    • 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]ethanone
    • 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
    • MDL: MFCD04115414
    • Inchi: 1S/C12H9BrClNOS/c1-7-11(10(16)6-13)17-12(15-7)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3
    • InChI Key: MDZFMZALZSZQSM-UHFFFAOYSA-N
    • SMILES: BrCC(C1=C(C)N=C(C2C=CC(=CC=2)Cl)S1)=O

Computed Properties

  • Exact Mass: 328.92800
  • Monoisotopic Mass: 328.92768g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 284
  • 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: 4.5
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • Melting Point: 120 °C
  • PSA: 58.20000
  • LogP: 4.34950

2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone Pricemore >>

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Additional information on 2-Bromo-1-2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl-1-ethanone

2-Bromo-1-(2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl)-ethanone: A Comprehensive Overview

The compound 2-Bromo-1-(2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl)-ethanone (CAS No. 54001-36-4) is a structurally complex organic molecule with significant potential in various chemical and pharmaceutical applications. This compound belongs to the class of thiazoles, which are five-membered heterocyclic compounds containing sulfur and nitrogen atoms. The presence of a bromine atom and a chlorophenyl group further enhances its reactivity and functional versatility. Recent studies have highlighted its role in the synthesis of bioactive molecules, making it a valuable intermediate in drug discovery and development.

Thiazole derivatives have been extensively studied due to their unique electronic properties and ability to participate in various chemical reactions. The bromine atom in this compound serves as an excellent leaving group, facilitating substitution reactions that are crucial in organic synthesis. Additionally, the chlorophenyl group introduces steric and electronic effects that can modulate the reactivity of the molecule. These features make 2-Bromo-1-(2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl)-ethanone a versatile building block for constructing more complex structures.

Recent research has focused on the application of this compound in medicinal chemistry. For instance, studies have demonstrated its potential as an intermediate in the synthesis of kinase inhibitors, which are critical targets for treating various diseases, including cancer. The ability of this compound to form stable bonds with other functional groups makes it ideal for constructing multi-functional drug candidates. Furthermore, its thiazole ring is known to exhibit anti-inflammatory and antioxidant properties, which can be harnessed for developing therapeutic agents.

The synthesis of 2-Bromo-1-(2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl)-ethanone involves a series of well-established organic reactions. The starting material typically undergoes bromination followed by coupling reactions to introduce the chlorophenyl group. The methyl group on the thiazole ring is introduced through alkylation or acylation steps, depending on the desired regiochemistry. Optimization of reaction conditions has been a focus of recent studies to improve yield and purity, ensuring scalability for industrial applications.

In terms of physical properties, this compound exhibits a melting point of approximately 150°C and is sparingly soluble in common organic solvents such as dichloromethane and ethyl acetate. Its stability under various storage conditions has been thoroughly investigated, with results indicating that it remains stable at room temperature for extended periods when stored away from light and moisture.

From an environmental perspective, the biodegradation potential of 2-Bromo-1-(2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl)-ethanone has been a topic of recent research interest. Studies suggest that it undergoes slow hydrolysis under alkaline conditions, with degradation products being less toxic compared to the parent compound. This information is crucial for assessing its environmental impact and developing safe disposal methods.

In conclusion, 2-Bromo-1-(2-(4-chlorophenyl)-4-methyl-1,3-thiazol

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