Cas no 172168-03-5 (4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone)

4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone is a specialized oxazolone derivative with applications in organic synthesis and pharmaceutical research. Its structure features a 4-methoxyphenylmethyl substituent, enhancing its reactivity in cyclization and condensation reactions. The compound's stability under mild conditions makes it suitable for use as a key intermediate in heterocyclic chemistry. Its phenyl and methyl groups contribute to steric and electronic modulation, facilitating selective transformations. This oxazolone derivative is particularly valuable in the synthesis of bioactive molecules, offering controlled reactivity for constructing complex molecular frameworks. Researchers utilize it for its consistent performance and compatibility with various synthetic protocols.
4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone structure
172168-03-5 structure
Product Name:4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone
CAS No:172168-03-5
MF:C18H17NO3
MW:295.332484960556
CID:905617
PubChem ID:15200011
Update Time:2025-06-15

4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone Chemical and Physical Properties

Names and Identifiers

    • 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone
    • 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-
    • 4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
    • rac-4-(4-methoxybenzyl)-4-methyl-2-phenyl-1,3-oxazol-5(4H)-one
    • rac-4-(4-methoxybenzyl)-4-methyl-2-phenyloxazol-5(4H)-one
    • DTXSID60569946
    • AKOS030255482
    • 172168-03-5
    • 4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazol-5(4H)-one
    • 4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
    • 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone
    • Inchi: 1S/C18H17NO3/c1-18(12-13-8-10-15(21-2)11-9-13)17(20)22-16(19-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
    • InChI Key: OVPKTKFTTJKXLN-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC=CC=2)=NC(C1=O)(C)CC1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 295.12100
  • Monoisotopic Mass: 295.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 434
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.6
  • Topological Polar Surface Area: 47.9?2

Experimental Properties

  • PSA: 47.89000
  • LogP: 2.43560

4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone Pricemore >>

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4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone Production Method

Additional information on 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone

Comprehensive Overview of 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone (CAS No. 172168-03-5)

The compound 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone (CAS No. 172168-03-5) is a specialized organic molecule that has garnered significant attention in the fields of medicinal chemistry and material science. Its unique structure, featuring a 4-methoxyphenyl group and a 5(4H)-oxazolone core, makes it a valuable intermediate in the synthesis of various bioactive compounds. Researchers and industry professionals are increasingly interested in this compound due to its potential applications in drug development, particularly in the design of novel anti-inflammatory and antimicrobial agents.

In recent years, the demand for 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone has surged, driven by its role in the synthesis of heterocyclic compounds. Heterocycles are a cornerstone of modern pharmaceuticals, and the 5(4H)-oxazolone moiety is particularly noteworthy for its versatility. This compound is often explored in the context of green chemistry and sustainable synthesis, as scientists seek eco-friendly methods to produce such intermediates. The integration of 4-methoxyphenyl groups into molecular frameworks is also a hot topic, as these groups can enhance the pharmacokinetic properties of drug candidates.

One of the most frequently asked questions about CAS No. 172168-03-5 revolves around its solubility and stability under various conditions. Studies indicate that this compound exhibits moderate solubility in organic solvents like dimethyl sulfoxide (DMSO) and methanol, making it suitable for laboratory-scale reactions. Its stability at room temperature is another advantage, as it reduces the need for specialized storage conditions. These properties align with the growing trend of high-throughput screening and automated synthesis, where reliable and stable intermediates are essential.

The synthetic pathways to 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone often involve multi-step reactions, including condensation and cyclization steps. Researchers are particularly interested in optimizing these routes to improve yield and reduce waste. This aligns with the broader industry focus on atom economy and process intensification. Additionally, the compound's potential as a building block for fluorescent materials has sparked interest in the materials science community, where it could be used to develop new optoelectronic devices.

Another area of exploration for CAS No. 172168-03-5 is its role in peptide mimetics. The 5(4H)-oxazolone ring can mimic certain peptide bonds, making it a valuable tool in the design of enzyme inhibitors and receptor modulators. This application is particularly relevant in the context of drug discovery, where researchers are constantly seeking new scaffolds to target elusive biological pathways. The compound's ability to interact with biological systems while maintaining low toxicity is a key factor in its appeal.

From a commercial perspective, 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone is available through specialized chemical suppliers, often in small quantities for research purposes. Pricing and availability can vary, but the compound's niche applications ensure steady demand. For those interested in its procurement, it is advisable to verify the supplier's credentials and ensure compliance with local regulations. The compound's CAS No. 172168-03-5 serves as a unique identifier, facilitating accurate sourcing and regulatory documentation.

In conclusion, 4-(4-Methoxyphenyl)methyl-4-methyl-2-phenyl-5(4H)-oxazolone (CAS No. 172168-03-5) is a multifaceted compound with significant potential in both pharmaceutical and material science applications. Its unique structural features, combined with its synthetic versatility, make it a valuable asset for researchers. As the scientific community continues to explore sustainable and efficient synthetic methods, this compound is likely to remain a focal point of innovation. Whether you are a chemist, a materials scientist, or a pharmaceutical researcher, understanding the properties and applications of this molecule can open new avenues for discovery and development.

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