Cas no 183559-31-1 (5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)-)

5(4H)-Oxazolone, 4-methyl-2-(4-methylphenyl)-, is a heterocyclic compound featuring an oxazolone core substituted with methyl groups at the 4-position of the ring and the para-position of the phenyl moiety. This structure imparts reactivity useful in synthetic organic chemistry, particularly as an intermediate in the preparation of more complex molecules, including pharmaceuticals and agrochemicals. Its rigid oxazolone framework enhances stability while allowing for selective functionalization. The compound’s well-defined crystalline form facilitates purification and handling. Its compatibility with various reaction conditions makes it a versatile building block for researchers developing novel compounds with tailored properties.
5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)- structure
183559-31-1 structure
Product Name:5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)-
CAS No:183559-31-1
MF:C11H11NO2
MW:189.210542917252
MDL:MFCD18821267
CID:114133
PubChem ID:13448668
Update Time:2025-06-09

5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)-
    • 4-methyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
    • 4-Methyl-2-(p-tolyl)oxazol-5(4H)-one
    • SCHEMBL9055482
    • 5(4H)-Oxazolone, 4-methyl-2-(4-methylphenyl)-
    • 4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
    • EN300-25663719
    • 183559-31-1
    • MDL: MFCD18821267
    • Inchi: 1S/C11H11NO2/c1-7-3-5-9(6-4-7)10-12-8(2)11(13)14-10/h3-6,8H,1-2H3
    • InChI Key: ASUAKGFZNSFOKP-UHFFFAOYSA-N
    • SMILES: O1C(C(C)N=C1C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 189.07903
  • Monoisotopic Mass: 189.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 265
  • 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: 2.2
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.66

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Additional information on 5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)-

Comprehensive Overview of 5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)- (CAS No. 183559-31-1)

5(4H)-Oxazolone,4-methyl-2-(4-methylphenyl)- (CAS No. 183559-31-1) is a specialized organic compound belonging to the oxazolone family. This heterocyclic structure is widely studied in pharmaceutical and material science due to its unique chemical properties. Researchers are increasingly interested in its potential applications, particularly in drug discovery and bioactive molecule synthesis. The compound's 4-methylphenyl substitution pattern enhances its stability, making it valuable for advanced research.

In recent years, the demand for heterocyclic compounds like 5(4H)-Oxazolone derivatives has surged, driven by their role in developing antimicrobial agents and anti-inflammatory drugs. A 2023 study highlighted its relevance in small-molecule inhibitors targeting metabolic pathways. This aligns with growing public interest in personalized medicine and targeted therapies, frequently searched topics in AI-driven drug discovery platforms.

The synthesis of CAS 183559-31-1 typically involves cyclocondensation reactions between carboxylic acid derivatives and amino alcohols. Its crystalline structure and moderate solubility in organic solvents make it suitable for X-ray crystallography studies—a trending topic among chemistry enthusiasts exploring molecular docking simulations. Laboratories often employ HPLC purification to achieve high-purity batches for research purposes.

From an industrial perspective, this compound has gained attention in advanced material engineering. Its electron-rich aromatic system shows promise in organic semiconductor applications, coinciding with rising searches for green electronics materials. The methyl group substitutions at positions 4 and 2 contribute to enhanced thermal stability, a critical factor for high-performance polymers.

Environmental considerations are increasingly shaping compound research. 5(4H)-Oxazolone derivatives demonstrate biodegradability potential in preliminary studies, addressing the popular search query "eco-friendly chemical alternatives." Regulatory databases classify it as non-hazardous under standard handling conditions, though proper laboratory safety protocols remain essential—a frequently discussed topic in academic chemistry forums.

Analytical characterization of 4-methyl-2-(4-methylphenyl)oxazol-5(4H)-one typically involves NMR spectroscopy (1H and 13C), mass spectrometry, and FT-IR analysis. These techniques verify the compound's purity and confirm its molecular structure—information highly sought after in open-access chemistry databases. The compound's UV-Vis absorption spectrummax ~270 nm) makes it relevant for photochemical research, another trending field.

Future research directions may explore its catalytic applications or modifications for fluorescent probes. The scientific community continues investigating its structure-activity relationships, particularly for enzyme inhibition—a hot topic in computational chemistry circles. With proper documentation and research-grade handling, this compound holds significant potential for interdisciplinary innovation.

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