Cas no 2065-28-3 (Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate)

Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate structure
2065-28-3 structure
Product Name:Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
CAS No:2065-28-3
MF:C12H11NO3
MW:217.220643281937
MDL:MFCD00119105
CID:261695
PubChem ID:727920
Update Time:2025-07-19

Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylicacid, 5-methyl-3-phenyl-, methyl ester
    • 5-methyl-3-phenyl-4-Isoxazolecarboxylic acid methyl ester
    • methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
    • Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
    • 3-Phenyl-5-methyl-4-isoxazol-carbonsaeure-methylester
    • 3-Phenyl-5-methyl-isoxazol-4-carbonsaeure-methylester
    • 5-Methyl-3-Phenyl-4-isoxazol-carbonsaeure-methylester
    • 5-methyl-3-phenyl-isoxazole-4-carboxylic acid methyl ester
    • methyl 5-methyl-3-phenylisoxazole-4-carboxylate
    • Z16184592
    • HMS2706D12
    • A18432
    • CS-0279483
    • Maybridge1_002963
    • DTXSID20352492
    • CDS1_000675
    • 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, methyl ester
    • 2065-28-3
    • AM20030314
    • HMS549O15
    • FT-0679993
    • VJCQAWFSNYNJLG-UHFFFAOYSA-N
    • 11B-004
    • SY081609
    • MFCD00119105
    • MLS000709597
    • DivK1c_001715
    • AKOS000544608
    • methyl 5-methyl-3-phenyl-1, 2-oxazole-4-carboxylate
    • J-522495
    • SCHEMBL4683450
    • SMR000288064
    • CHEMBL1723122
    • BBL007612
    • STK365545
    • DB-066276
    • ALBB-020633
    • Methyl 5-methyl-3-phenyl-isoxazole-4-carboxylate
    • MDL: MFCD00119105
    • Inchi: 1S/C12H11NO3/c1-8-10(12(14)15-2)11(13-16-8)9-6-4-3-5-7-9/h3-7H,1-2H3
    • InChI Key: VJCQAWFSNYNJLG-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(=O)OC)C(C2C=CC=CC=2)=N1

Computed Properties

  • Exact Mass: 217.07400
  • Monoisotopic Mass: 217.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 251
  • 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: 2.3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 79-81°C
  • Boiling Point: 361.0±30.0 °C at 760 mmHg
  • Flash Point: 172.1±24.6 °C
  • Refractive Index: 1.537
  • PSA: 52.33000
  • LogP: 2.43660
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate Security Information

Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate 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%

Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate Pricemore >>

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Additional information on Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate

Comprehensive Overview of Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate (CAS No. 2065-28-3): Properties, Applications, and Industry Insights

Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate (CAS No. 2065-28-3) is a specialized organic compound belonging to the isoxazole family, a heterocyclic scaffold widely recognized for its versatility in pharmaceutical and agrochemical applications. This ester derivative, characterized by its methyl carboxylate and phenyl substituents, has garnered significant attention in synthetic chemistry due to its role as a key intermediate in the development of bioactive molecules. Its molecular structure, combining aromatic and heterocyclic motifs, offers unique reactivity patterns that align with modern green chemistry and sustainable synthesis trends—topics highly searched in AI-driven research platforms.

In recent years, the demand for Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate has surged, driven by its utility in drug discovery and material science. Researchers frequently query its synthetic routes, spectroscopic data (e.g., NMR, IR), and solubility profiles—common long-tail keywords in scientific databases. The compound’s lipophilicity and hydrogen-bonding capacity make it a candidate for optimizing bioavailability in medicinal chemistry, a hot topic in AI-assisted drug design. Notably, its stability under mild conditions aligns with industry shifts toward energy-efficient processes, another trending search term.

From an industrial perspective, CAS 2065-28-3 is often discussed in forums focusing on high-value intermediates and scalable synthesis. Its compatibility with catalytic reactions (e.g., Pd-catalyzed cross-coupling) addresses the growing interest in atom-economical transformations. Environmental concerns have also propelled searches for its biodegradability and eco-friendly derivatives, reflecting broader societal priorities. Analytical techniques like HPLC purity analysis and crystallography studies are frequently associated with this compound, underscoring its rigorous quality control requirements.

Innovative applications of Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate extend to electronic materials, where its conjugated system is explored for organic semiconductors. This intersects with the booming interest in flexible electronics and IoT devices—topics dominating tech-related searches. Furthermore, its potential in crop protection formulations resonates with agrochemical researchers investigating low-toxicity pesticides, a critical area amid global food security debates.

Regulatory and safety profiles of CAS 2065-28-3 are meticulously documented, complying with REACH and GMP standards—frequently searched compliance terms. The compound’s storage stability and handling protocols are detailed in technical datasheets, addressing common user queries about long-term degradation and inert atmosphere storage. Such precision ensures its adoption in GMP-certified facilities, a priority for pharmaceutical manufacturers.

In summary, Methyl 5-methyl-3-phenyl-4-isoxazolecarboxylate exemplifies the convergence of cutting-edge research and industrial practicality. Its multifaceted role—from small-molecule APIs to advanced materials—positions it as a compound of enduring relevance, mirroring the interdisciplinary queries seen in modern search engines and AI-driven literature mining tools.

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