Cas no 18735-74-5 (5-methyl-2-phenyl-oxazole-4-carboxylic acid)

5-Methyl-2-phenyl-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative featuring an oxazole core substituted with a methyl group at the 5-position and a phenyl ring at the 2-position. This compound is of interest in organic synthesis and medicinal chemistry due to its versatile reactivity, particularly as a building block for more complex heterocyclic systems. The oxazole scaffold is known for its stability and potential bioactivity, making this carboxylic acid a valuable intermediate in the development of pharmaceuticals and agrochemicals. Its well-defined structure allows for precise functionalization, enabling applications in ligand design and material science. The product is typically characterized by high purity and consistent performance in synthetic workflows.
5-methyl-2-phenyl-oxazole-4-carboxylic acid structure
18735-74-5 structure
Product Name:5-methyl-2-phenyl-oxazole-4-carboxylic acid
CAS No:18735-74-5
MF:C11H9NO3
MW:203.194062948227
MDL:MFCD00275475
CID:169998
PubChem ID:318533
Update Time:2025-06-13

5-methyl-2-phenyl-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-2-phenyloxazole-4-carboxylic acid
    • 5-METHYL-2-PHENYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
    • 2-Phenyl-5-methyloxazole-4-carboxylic Acid
    • 4-Oxazolecarboxylicacid, 5-methyl-2-phenyl-
    • 2-phenyl-5-methyl-oxazole-4-carboxylic acid
    • 5-methy-2-phenyloxazole-4-carboxylic acid
    • 5-Methyl-2-phenyl-oxazol-4-carbonsaeure
    • IFLAB-BB F2124-0564
    • 5-Methyl-2-phenyl-oxazol-4-carboxylicacid
    • 4-Carboxy-5-methyl-2-phenyl-1,3-oxazole, (4-Carboxy-5-methyl-1,3-oxazol-2-yl)benzene
    • 4-Oxazolecarboxylic acid, 5-Methyl-2-phenyl-
    • 5-Methyl-2-phenyl-1,3-oxazole-4-carboxylicacid97%
    • 5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid 97%
    • BAS 09857875
    • 5-Methyl-2-phenyl-oxazole-4-carboxylic acid
    • NSC255239
    • MLS000715695
    • YABCPNYCFFUVNM-UHFFFAOYSA-N
    • HMS2635N08
    • HMS1689I07
    • HMS3363G13
    • SBB053178
    • RP04411
    • CHEMBL1087213
    • 5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid, AldrichCPR
    • FT-0657097
    • CS-W005617
    • 18735-74-5
    • DTXSID90312482
    • MFCD00275475
    • DS-1705
    • SR-01000364973-1
    • Z55993031
    • SR-01000364973
    • W-204637
    • SCHEMBL2179708
    • W-206365
    • 5-methyl-2-phenyloxazol-4-ylcarboxylic acid
    • SY015421
    • TS-02887
    • SMR000277212
    • A813141
    • NSC-255239
    • EN300-09149
    • AKOS000117719
    • 4-Oxazolecarboxylicacid,5-methyl-2-phenyl-
    • DB-010778
    • 5-methyl-2-phenyl-oxazole-4-carboxylic acid
    • MDL: MFCD00275475
    • Inchi: 1S/C11H9NO3/c1-7-9(11(13)14)12-10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
    • InChI Key: YABCPNYCFFUVNM-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(=O)O)N=C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 203.05800
  • Monoisotopic Mass: 203.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 238
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 63.3

Experimental Properties

  • Density: 1.273
  • Melting Point: 182 °C
  • Boiling Point: 400.1℃ at 760 mmHg
  • Flash Point: 195.8°C
  • PSA: 63.33000
  • LogP: 2.34820

5-methyl-2-phenyl-oxazole-4-carboxylic acid Security Information

5-methyl-2-phenyl-oxazole-4-carboxylic acid Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-methyl-2-phenyl-oxazole-4-carboxylic acid Related Literature

Additional information on 5-methyl-2-phenyl-oxazole-4-carboxylic acid

Comprehensive Overview of 5-methyl-2-phenyl-oxazole-4-carboxylic acid (CAS No. 18735-74-5)

5-methyl-2-phenyl-oxazole-4-carboxylic acid (CAS No. 18735-74-5) is a specialized organic compound belonging to the oxazole family, a class of heterocyclic compounds known for their diverse applications in pharmaceuticals, agrochemicals, and material science. This compound features a methyl group at the 5-position and a phenyl ring at the 2-position of the oxazole core, coupled with a carboxylic acid functional group at the 4-position. Its unique structure makes it a valuable intermediate in synthetic chemistry, particularly in the development of bioactive molecules and functional materials.

The growing interest in 5-methyl-2-phenyl-oxazole-4-carboxylic acid is driven by its potential role in drug discovery and organic synthesis. Researchers are increasingly exploring its utility as a building block for small-molecule inhibitors, antimicrobial agents, and fluorescent probes. Recent studies highlight its relevance in designing kinase inhibitors, a hot topic in cancer research, as well as its applications in catalysis and polymer chemistry. The compound's carboxylic acid moiety also enables facile derivatization, making it adaptable for peptide coupling and bioconjugation strategies.

From an industrial perspective, 5-methyl-2-phenyl-oxazole-4-carboxylic acid is gaining traction due to its compatibility with green chemistry principles. Manufacturers are optimizing synthetic routes to minimize waste and energy consumption, aligning with global sustainability trends. Questions like "How to synthesize 5-methyl-2-phenyl-oxazole-4-carboxylic acid?" or "What are the applications of oxazole derivatives in medicine?" frequently appear in scientific forums, reflecting the compound's relevance. Additionally, its stability under physiological conditions makes it a candidate for prodrug design, another area of intense research.

Analytical characterization of CAS No. 18735-74-5 typically involves techniques such as NMR spectroscopy, HPLC, and mass spectrometry to ensure purity and structural integrity. The compound's solubility in polar organic solvents like DMSO and methanol facilitates its use in laboratory settings. Recent advancements in computational chemistry have also enabled predictive modeling of its reactivity, aiding in the design of novel derivatives for targeted applications.

In summary, 5-methyl-2-phenyl-oxazole-4-carboxylic acid represents a versatile scaffold with broad interdisciplinary appeal. Its integration into high-throughput screening libraries and material science innovations underscores its importance in modern research. As demand for tailored heterocyclic compounds grows, this oxazole derivative is poised to play a pivotal role in addressing challenges across life sciences and industrial chemistry.

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