Cas no 118994-86-8 (1,3-Oxazole-5-carbaldehyde)

1,3-Oxazole-5-carbaldehyde is a heterocyclic aldehyde featuring an oxazole ring with a formyl group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its reactive aldehyde group enables facile derivatization through condensation, reduction, or nucleophilic addition reactions, while the oxazole core contributes to its stability and electronic properties. The compound's structural motif is valuable in medicinal chemistry for designing bioactive molecules. High purity grades are available to ensure consistency in research and industrial applications. Proper handling under inert conditions is recommended due to its sensitivity to air and moisture.
1,3-Oxazole-5-carbaldehyde structure
1,3-Oxazole-5-carbaldehyde structure
Product Name:1,3-Oxazole-5-carbaldehyde
CAS No:118994-86-8
MF:C4H3NO2
MW:97.0721209049225
MDL:MFCD02179513
CID:132038
PubChem ID:11829372
Update Time:2025-11-02

1,3-Oxazole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • Oxazole-5-carbaldehyde
    • 1,3-Oxazole-5-carbaldehyde
    • 5-oxazole carboxaldehyde
    • Ethanone, 1-pyrazolo[1,5-a]pyridin-3-yl- (9CI)
    • tert-butyl 1-amino-8-azaspiro[4.5]decane-8-carboxylate
    • 5-Formyloxazole
    • 5-Oxazolecarbaldehyde
    • oxazol-5-carbaldehyde
    • oxazole-5-carboxaldehyde
    • oxazole-5-carboxyaldehyde
    • 1,3-Oxazole-5-carboxaldehyde
    • 5-Oxazolecarboxaldehyde (9CI)
    • AKOS006283212
    • 5-formyl-oxazole
    • CS-W000738
    • BB 0260789
    • 118994-86-8
    • EN300-73499
    • C4H3NO2
    • A804143
    • PS-17726
    • 5-OXAZOLECARBOXALDEHYDE
    • AM20080128
    • SY025934
    • J-004028
    • FT-0645257
    • J-517898
    • MFCD02179513
    • AB11283
    • YOFJBRZKRZUDGB-UHFFFAOYSA-N
    • 5-oxazolecarboxaldehyde, AldrichCPR
    • DTXSID70473949
    • STL553799
    • BBL100228
    • DB-003747
    • MDL: MFCD02179513
    • Inchi: 1S/C4H3NO2/c6-2-4-1-5-3-7-4/h1-3H
    • InChI Key: YOFJBRZKRZUDGB-UHFFFAOYSA-N
    • SMILES: O1C=NC=C1C=O

Computed Properties

  • Exact Mass: 97.01640
  • Monoisotopic Mass: 97.016378338g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 74.1
  • 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: 0.1
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.258±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 30-32 oC
  • Boiling Point: 184.7±13.0 oC (760 Torr),
  • Flash Point: 65.5±19.8 oC,
  • Solubility: Soluble (184 g/l) (25 o C),
  • PSA: 43.10000
  • LogP: 0.48710

1,3-Oxazole-5-carbaldehyde Security Information

1,3-Oxazole-5-carbaldehyde 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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1,3-Oxazole-5-carbaldehyde Production Method

1,3-Oxazole-5-carbaldehyde Related Literature

Additional information on 1,3-Oxazole-5-carbaldehyde

1,3-Oxazole-5-carbaldehyde (CAS No. 118994-86-8): A Versatile Building Block in Organic Synthesis

1,3-Oxazole-5-carbaldehyde (CAS No. 118994-86-8) is a highly valuable heterocyclic compound that has gained significant attention in the field of organic chemistry and pharmaceutical research. As a five-membered heterocyclic aldehyde, it serves as a crucial intermediate in the synthesis of various biologically active molecules, agrochemicals, and functional materials. The unique structural features of 1,3-oxazole-5-carboxaldehyde, including its electron-rich aromatic system and reactive aldehyde group, make it an attractive building block for designing novel compounds with tailored properties.

The growing interest in oxazole derivatives stems from their widespread occurrence in natural products and pharmaceuticals. Researchers are particularly fascinated by the 1,3-oxazole-5-carbaldehyde structure due to its ability to participate in diverse chemical transformations, such as condensation reactions, nucleophilic additions, and cyclization processes. Recent studies have highlighted its potential in developing antimicrobial agents, anticancer compounds, and organic electronic materials, aligning with current trends in drug discovery and material science.

From a synthetic chemistry perspective, 1,3-Oxazole-5-carbaldehyde synthesis typically involves the cyclization of appropriate precursors or the functionalization of pre-formed oxazole rings. The compound's CAS 118994-86-8 identifier ensures precise specification in research and industrial applications. Its molecular formula C4H3NO2 represents a compact yet highly functional structure that offers multiple sites for chemical modification, making it particularly valuable in combinatorial chemistry and high-throughput screening approaches.

The physicochemical properties of 1,3-oxazole-5-carboxaldehyde contribute to its versatility in chemical applications. With a molecular weight of 97.07 g/mol, this pale yellow to colorless liquid exhibits moderate polarity, facilitating its use in various solvent systems. The compound's aldehyde functional group at the 5-position of the oxazole ring provides an excellent handle for further derivatization, while the nitrogen and oxygen atoms in the heterocycle enable interesting coordination chemistry and hydrogen bonding interactions.

In pharmaceutical research, 1,3-Oxazole-5-carbaldehyde applications are expanding rapidly. Medicinal chemists are exploring its incorporation into drug candidates targeting various diseases, particularly in the development of kinase inhibitors and GPCR modulators. The oxazole ring system is known to improve metabolic stability and bioavailability, making 1,3-oxazole derivatives attractive scaffolds in drug design. Current investigations focus on its potential in treating neurological disorders and inflammatory conditions, areas of high unmet medical need.

The material science community has recognized 1,3-oxazole-5-carbaldehyde uses in creating advanced functional materials. Its ability to form conjugated systems makes it valuable for developing organic semiconductors, fluorescent probes, and coordination polymers. Researchers are particularly interested in its potential for creating metal-organic frameworks (MOFs) with tailored porosity and catalytic properties, addressing current challenges in energy storage and environmental remediation.

From a commercial perspective, the market for 1,3-Oxazole-5-carbaldehyde suppliers has been growing steadily, driven by increasing demand from pharmaceutical and specialty chemical industries. The compound's CAS registry number 118994-86-8 serves as a crucial identifier for procurement and regulatory compliance. Current market trends indicate rising interest in custom synthesis and contract manufacturing of oxazole-based intermediates, with particular emphasis on scalable and sustainable production methods.

Recent advancements in 1,3-oxazole-5-carbaldehyde chemistry include the development of novel catalytic systems for its preparation and functionalization. Green chemistry approaches, such as microwave-assisted synthesis and biocatalytic methods, are being explored to improve the efficiency and sustainability of oxazole derivative production. These innovations align with the chemical industry's focus on atom economy and reduced environmental impact, addressing growing concerns about sustainable chemical manufacturing.

Quality control and analytical characterization of 1,3-Oxazole-5-carbaldehyde (118994-86-8) typically involve techniques such as HPLC, GC-MS, and NMR spectroscopy. The compound's purity is crucial for its performance in subsequent reactions, particularly in pharmaceutical applications where stringent quality standards apply. Analytical methods continue to evolve, with increased use of LC-MS techniques and spectroscopic fingerprinting to ensure batch-to-batch consistency.

Looking forward, research directions for 1,3-oxazole-5-carboxaldehyde derivatives include exploration of their biological activities and material properties. The scientific community is particularly interested in developing multifunctional oxazole compounds that combine therapeutic effects with diagnostic capabilities, contributing to the emerging field of theranostics. Additionally, the design of chiral oxazole catalysts for asymmetric synthesis represents another promising avenue of investigation.

In conclusion, 1,3-Oxazole-5-carbaldehyde (CAS No. 118994-86-8) stands as a remarkably versatile compound with broad applications across chemical and pharmaceutical sciences. Its unique structural features and reactivity profile continue to inspire innovative research in drug discovery, materials science, and synthetic methodology. As scientific understanding of oxazole chemistry deepens and synthetic technologies advance, this valuable building block is poised to play an increasingly important role in addressing contemporary challenges in health and technology.

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