Cas no 2172231-10-4 (1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one)

1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one is a specialized organic compound featuring a thiazole core with dimethyl and 2-methylbutanone substituents. Its structural configuration imparts unique reactivity, making it valuable in synthetic chemistry, particularly in heterocyclic and pharmaceutical applications. The thiazole moiety enhances stability and electronic properties, while the ketone functionality offers versatility for further derivatization. This compound is useful as an intermediate in the synthesis of biologically active molecules, agrochemicals, or functional materials. Its well-defined molecular structure ensures consistent performance in controlled reactions, facilitating precise modifications for target applications. Suitable for research and industrial use, it is typically handled under standard laboratory conditions with appropriate safety measures.
1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one structure
2172231-10-4 structure
Product Name:1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one
CAS No:2172231-10-4
MF:C10H15NOS
MW:197.297201395035
CID:5779853
PubChem ID:165521958
Update Time:2025-06-09

1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one
    • EN300-1269025
    • 2172231-10-4
    • 1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one
    • Inchi: 1S/C10H15NOS/c1-5-6(2)9(12)10-11-7(3)8(4)13-10/h6H,5H2,1-4H3
    • InChI Key: YTGVQTVAQRTOCD-UHFFFAOYSA-N
    • SMILES: S1C(C)=C(C)N=C1C(C(C)CC)=O

Computed Properties

  • Exact Mass: 197.08743528g/mol
  • Monoisotopic Mass: 197.08743528g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 58.2?2

1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one Pricemore >>

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Additional information on 1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one

Introduction to Compound CAS No. 2172231-10-4: 1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one

The compound with CAS No. 2172231-10-4, commonly referred to as 1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of thiazole derivatives, which are known for their diverse biological activities and applications in drug discovery. The thiazole ring in this molecule plays a crucial role in its chemical properties and reactivity, making it a subject of interest for researchers worldwide.

Recent studies have highlighted the potential of 1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one as a promising candidate in the development of novel therapeutic agents. Its unique structure, featuring a dimethyl-substituted thiazole moiety and a methylbutanone group, contributes to its stability and bioavailability. Researchers have explored its anti-inflammatory, antioxidant, and antimicrobial properties, which suggest its potential use in treating various diseases, including inflammatory disorders and infectious diseases.

The synthesis of this compound involves a multi-step process that typically includes the formation of the thiazole ring followed by subsequent functionalization. One of the most efficient methods reported in recent literature involves the use of microwave-assisted synthesis, which significantly reduces reaction time while maintaining high yields. This approach has been widely adopted due to its scalability and reproducibility.

In terms of applications, 1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one has shown remarkable potential in the pharmaceutical industry. Its ability to inhibit key enzymes involved in inflammatory pathways makes it a valuable lead compound for developing anti-inflammatory drugs. Additionally, its antioxidant properties have led to investigations into its use as a natural food preservative and cosmetic ingredient.

Recent advancements in computational chemistry have further enhanced our understanding of this compound's molecular interactions. By employing molecular docking studies, researchers have identified key binding sites on target proteins that contribute to its biological activity. These insights have paved the way for rational drug design strategies aimed at optimizing its therapeutic potential.

Moreover, the environmental impact of 1-(Dimethyl-1,3-thiazol-2-yl)-2-methylbutan-1-one has been a topic of interest among chemists and ecologists. Studies have shown that this compound exhibits low toxicity towards aquatic organisms under standard testing conditions. However, further research is required to fully assess its long-term effects on ecosystems and ensure its safe use in industrial applications.

In conclusion, CAS No. 2172231-10-4 represents a significant advancement in the field of organic chemistry due to its versatile structure and promising biological properties. As research continues to uncover new applications and optimize its synthesis methods, this compound is poised to play a pivotal role in various industries ranging from pharmaceuticals to cosmetics.

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