Cas no 4345-46-4 (3,5-dimethyl-4-phenyl-1,2-oxazole)

3,5-Dimethyl-4-phenyl-1,2-oxazole is a heterocyclic compound featuring an oxazole core substituted with methyl groups at the 3- and 5-positions and a phenyl ring at the 4-position. This structure imparts stability and versatility, making it a valuable intermediate in organic synthesis and pharmaceutical research. The electron-rich aromatic system and steric hindrance from the methyl groups enhance its reactivity in selective transformations, such as cross-coupling or functionalization reactions. Its well-defined molecular framework is advantageous for designing bioactive molecules or materials with tailored properties. The compound’s purity and consistent performance make it suitable for applications in medicinal chemistry and agrochemical development.
3,5-dimethyl-4-phenyl-1,2-oxazole structure
4345-46-4 structure
Product Name:3,5-dimethyl-4-phenyl-1,2-oxazole
CAS No:4345-46-4
MF:C11H11NO
MW:173.211142778397
CID:3986752
PubChem ID:5325760
Update Time:2025-11-02

3,5-dimethyl-4-phenyl-1,2-oxazole Chemical and Physical Properties

Names and Identifiers

    • Isoxazole, 3,5-dimethyl-4-phenyl-
    • SCHEMBL12134072
    • 4345-46-4
    • A9P
    • 3,5-dimethyl-4-phenyl-1,2-oxazole
    • CHEMBL1828979
    • Q27457171
    • Z1255374820
    • InChI=1/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H
    • 4-Phenyl 3,5-Dimethyl Isoxazole
    • AKOS015951136
    • 3,5 Dimethyl-4-Phenyl-1,2-Oxazole
    • EN300-190484
    • PD120525
    • TS-09099
    • BDBM50353589
    • DTXSID00416046
    • 3,5-DiMethyl-4-phenyl-isoxazole
    • CS-0965099
    • EAA34546
    • 3,5-Dimethyl-4-phenylisoxazole
    • Inchi: 1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
    • InChI Key: BHAXDAUULXCVEK-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(C)=N1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 173.084063974g/mol
  • Monoisotopic Mass: 173.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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: 2.8
  • Topological Polar Surface Area: 26?2

3,5-dimethyl-4-phenyl-1,2-oxazole Pricemore >>

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Additional information on 3,5-dimethyl-4-phenyl-1,2-oxazole

Comprehensive Guide to 3,5-dimethyl-4-phenyl-1,2-oxazole (CAS No. 4345-46-4): Properties, Applications, and Market Insights

3,5-dimethyl-4-phenyl-1,2-oxazole (CAS 4345-46-4) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This oxazole derivative features a unique molecular structure combining a phenyl ring with a dimethyl-substituted oxazole core, making it valuable for various synthetic applications. With growing interest in heterocyclic building blocks for drug discovery, this compound has become increasingly relevant in modern medicinal chemistry.

The molecular formula C11H11NO and molecular weight of 173.21 g/mol give 3,5-dimethyl-4-phenyl-1,2-oxazole distinct physicochemical properties. Its oxazole ring system contributes to notable stability while allowing for diverse chemical modifications. Researchers particularly value this compound for its potential as a pharmacophore in developing new therapeutic agents, especially in areas like anti-inflammatory and antimicrobial drug development.

Recent advancements in small molecule drug discovery have highlighted the importance of 3,5-dimethyl-4-phenyl-1,2-oxazole derivatives. The compound serves as a versatile intermediate for creating more complex molecules with potential biological activity. Its structural features make it particularly interesting for designing kinase inhibitors and GPCR modulators, which are hot topics in current pharmaceutical research.

In material science applications, 4345-46-4 has shown promise as a building block for functional materials. The conjugated system within its structure offers interesting electronic properties that could be exploited in organic electronics. Researchers are investigating its potential in creating novel organic semiconductors or photovoltaic materials, aligning with the growing demand for sustainable energy solutions.

The synthesis of 3,5-dimethyl-4-phenyl-1,2-oxazole typically involves cyclization reactions of appropriate precursors. Modern synthetic approaches focus on developing more efficient and environmentally friendly methods, reflecting the pharmaceutical industry's shift toward green chemistry principles. These advancements address common search queries about oxazole synthesis methods and sustainable heterocycle production.

Analytical characterization of this compound utilizes standard techniques including NMR spectroscopy, mass spectrometry, and HPLC purity analysis. The availability of high-purity 3,5-dimethyl-4-phenyl-1,2-oxazole (CAS 4345-46-4) is crucial for research applications, with suppliers offering various grades to meet different experimental needs. This addresses frequent searches about oxazole compound purity standards and analytical methods for heterocycles.

Market trends indicate growing demand for specialized oxazole derivatives like 3,5-dimethyl-4-phenyl-1,2-oxazole, particularly from pharmaceutical and agrochemical sectors. The compound's price and availability fluctuate based on raw material costs and production scale, with current research focusing on more cost-effective synthesis routes. These market dynamics respond to common queries about heterocyclic compound pricing trends and bulk chemical sourcing.

Safety considerations for handling 4345-46-4 follow standard laboratory protocols for organic compounds. While not classified as hazardous under normal conditions, proper personal protective equipment and ventilation systems are recommended during handling. This information addresses frequent safety-related searches about oxazole compound handling and laboratory safety protocols.

Future research directions for 3,5-dimethyl-4-phenyl-1,2-oxazole include exploring its biological activities more extensively and developing novel derivatives with enhanced properties. The compound's potential in drug discovery pipelines and material science applications continues to drive scientific interest, making it a subject of ongoing investigation in academic and industrial settings.

For researchers seeking high-quality 3,5-dimethyl-4-phenyl-1,2-oxazole, several specialized chemical suppliers offer this compound with varying purity levels and packaging options. The selection of appropriate grade depends on specific application requirements, whether for medicinal chemistry studies, material science research, or chemical synthesis purposes.

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