Cas no 159015-07-3 (4-methyloxazole-2-carbaldehyde)

4-Methyloxazole-2-carbaldehyde is a heterocyclic aldehyde featuring a methyl-substituted oxazole core. This compound is valued for its reactivity as a versatile intermediate in organic synthesis, particularly in the construction of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both the aldehyde and oxazole functionalities enables diverse transformations, including condensation, nucleophilic addition, and cyclization reactions. Its structural motif is useful in medicinal chemistry for designing bioactive molecules due to the oxazole ring's electron-rich nature and metabolic stability. The compound is typically handled under controlled conditions due to its sensitivity to air and moisture. Suitable for research and industrial applications requiring precise functional group manipulation.
4-methyloxazole-2-carbaldehyde structure
159015-07-3 structure
Product Name:4-methyloxazole-2-carbaldehyde
CAS No:159015-07-3
MF:C5H5NO2
MW:111.098701238632
MDL:MFCD10700246
CID:843007
PubChem ID:14920524
Update Time:2025-06-09

4-methyloxazole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Oxazolecarboxaldehyde, 4-Methyl-
    • 4-Methyl-1,3-oxazole-2-carbaldehyde
    • 4-methyl-2-Oxazolecarboxaldehyde
    • 4-METHYLOXAZOLE-2-CARBALDEHYDE
    • AGN-PC-0030BP
    • CTK0E6991
    • PB28183
    • QC-9493
    • 4-Methyl-oxazole-2-carbaldehyde
    • MFCD10700246
    • SCHEMBL7467485
    • Z1198279988
    • BCP21010
    • CS-0055282
    • AS-50741
    • EN300-194448
    • P10997
    • AKOS006302302
    • 4-Methyl-oxazole-2-carbaldehyde;4-Methyl-2-oxazolecarboxaldehyde;4-Methyl-1,3-oxazole-2-carbaldehyde
    • 159015-07-3
    • DTXSID10565433
    • 4-methyloxazole-2-carbaldehyde
    • MDL: MFCD10700246
    • Inchi: 1S/C5H5NO2/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
    • InChI Key: WQFUYXRLSRTPKS-UHFFFAOYSA-N
    • SMILES: O1C(C=O)=NC(C)=C1

Computed Properties

  • Exact Mass: 111.03205
  • Monoisotopic Mass: 111.032028402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 94.4
  • 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: 0.5
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.189±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 202.1±33.0 oC (760 Torr),
  • Flash Point: 76.0±25.4 oC,
  • Solubility: Slightly soluble (27 g/l) (25 o C),
  • PSA: 43.1
  • Vapor Pressure: 0.4±0.4 mmHg at 25°C

4-methyloxazole-2-carbaldehyde Security Information

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Additional information on 4-methyloxazole-2-carbaldehyde

4-Methyl-2-oxazolecarbaldehyde (CAS No. 159015-07-3): A Comprehensive Overview

4-Methyl-2-oxazolecarbaldehyde (CAS No. 159015-07-3) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and pharmaceutical research. This compound, also known as 4-methyloxazole-2-carbaldehyde, is characterized by its unique structural features and reactivity, making it a valuable building block in the synthesis of various bioactive molecules and pharmaceuticals.

The molecular formula of 4-methyloxazole-2-carbaldehyde is C5H6N2O, and it has a molecular weight of 114.12 g/mol. The compound consists of a five-membered oxazole ring with a methyl group at the 4-position and an aldehyde functional group at the 2-position. The presence of the aldehyde group imparts significant reactivity to the molecule, enabling it to participate in a wide range of chemical reactions, including condensation, reduction, and oxidation processes.

In recent years, 4-methyloxazole-2-carbaldehyde has been extensively studied for its potential applications in the development of new drugs and therapeutic agents. One notable area of research involves its use as an intermediate in the synthesis of oxazoline derivatives, which have shown promising activity in various biological assays. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that certain oxazoline derivatives derived from 4-methyloxazole-2-carbaldehyde exhibited potent antiviral activity against influenza viruses.

Beyond its role in drug discovery, 4-methyloxazole-2-carbaldehyde has also been explored for its utility in materials science. Researchers at the University of California, Berkeley, have demonstrated that this compound can be used as a precursor to synthesize novel polymers with unique optical and electronic properties. These polymers have potential applications in areas such as photovoltaic devices and organic light-emitting diodes (OLEDs).

The synthetic accessibility of 4-methyloxazole-2-carbaldehyde has been well-documented in the literature. A common synthetic route involves the reaction of methyl isocyanoacetate with acetone under acidic conditions to form the corresponding oxazolinium salt, which is then oxidized to yield the desired aldehyde. This method provides high yields and excellent purity, making it suitable for large-scale production.

In terms of safety and handling, 4-methyloxazole-2-carbaldehyde should be stored under dry conditions and protected from light to prevent degradation. It is important to note that while this compound is not classified as a hazardous material, proper personal protective equipment (PPE) should be used when handling it to avoid skin contact and inhalation.

The environmental impact of 4-methyloxazole-2-carbaldehyde has also been considered in recent studies. Research conducted by the Environmental Protection Agency (EPA) indicates that this compound does not pose significant environmental risks when used and disposed of according to standard guidelines. However, it is always advisable to follow best practices for waste management and disposal to minimize any potential ecological impact.

In conclusion, 4-methyloxazole-2-carbaldehyde (CAS No. 159015-07-3) is a multifaceted compound with a wide range of applications in both research and industry. Its unique chemical structure and reactivity make it an invaluable tool for chemists and researchers working in diverse fields such as medicinal chemistry, materials science, and polymer synthesis. As ongoing research continues to uncover new possibilities for this compound, its importance in the scientific community is likely to grow even further.

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