Cas no 1240605-72-4 (dimethyl-1,3-oxazole-2-carboxylic acid)

Dimethyl-1,3-oxazole-2-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a dimethyl-substituted oxazole core. 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 presence of the carboxylic acid group allows for further functionalization, such as amidation or esterification, while the oxazole ring contributes to its stability and potential bioactivity. Its structural features make it a useful intermediate in the development of pharmaceuticals, agrochemicals, and specialty materials. The dimethyl substitution enhances steric and electronic properties, influencing reactivity and solubility in synthetic applications.
dimethyl-1,3-oxazole-2-carboxylic acid structure
1240605-72-4 structure
Product Name:dimethyl-1,3-oxazole-2-carboxylic acid
CAS No:1240605-72-4
MF:C6H7NO3
MW:141.124681711197
MDL:MFCD16989235
CID:1059216
PubChem ID:21807090
Update Time:2025-10-28

dimethyl-1,3-oxazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dimethyl-2-oxazolecarboxylic Acid
    • 4,5-DIMETHYLOXAZOLE-2-CARBOXYLIC ACI
    • 4,5-Dimethyl-oxazole-2-carboxylic acid
    • dimethyl-1,3-oxazole-2-carboxylic acid
    • 4,?5-?Dimethyl-?oxazole-?2-?carboxylic acid
    • SB32122
    • 4,5-Dimethyloxazole-2-carboxylic acid
    • 1240605-72-4
    • MFCD16989235
    • 4,5-dimethyl-1,3-oxazole-2-carboxylic acid
    • SCHEMBL2616837
    • EN300-156105
    • CS-0342237
    • 4,5-Dimethyloxazole-2-carboxylicacid
    • MDL: MFCD16989235
    • Inchi: 1S/C6H7NO3/c1-3-4(2)10-5(7-3)6(8)9/h1-2H3,(H,8,9)
    • InChI Key: NMTLPEBBGGPJQP-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=NC(C)=C1C

Computed Properties

  • Exact Mass: 141.042593085g/mol
  • Monoisotopic Mass: 141.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 148
  • 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: 1
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 305.6±45.0 °C at 760 mmHg
  • Flash Point: 138.6±28.7 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

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Additional information on dimethyl-1,3-oxazole-2-carboxylic acid

Dimethyl-1,3-oxazole-2-carboxylic Acid (CAS No. 1240605-72-4): A Versatile Building Block in Modern Organic Synthesis

In the realm of organic chemistry, dimethyl-1,3-oxazole-2-carboxylic acid (CAS No. 1240605-72-4) has emerged as a pivotal compound for researchers and industrial applications alike. This heterocyclic carboxylic acid, characterized by its oxazole core and dimethyl substituents, offers unique reactivity and functional versatility. Its molecular structure, combining a five-membered oxazole ring with a carboxylic acid group, makes it a valuable intermediate in pharmaceuticals, agrochemicals, and material science.

The growing interest in dimethyl-1,3-oxazole-2-carboxylic acid is reflected in its frequent appearance in scientific literature and patent filings. Researchers are particularly drawn to its role in medicinal chemistry, where it serves as a scaffold for designing novel bioactive molecules. For instance, its incorporation into drug candidates has been explored for targeting inflammatory pathways and metabolic disorders, aligning with current trends in personalized medicine and drug discovery.

Beyond pharmaceuticals, CAS 1240605-72-4 finds utility in agrochemical research. Its structural features enable the synthesis of herbicides and fungicides with improved efficacy and environmental profiles. This aligns with the global push toward sustainable agriculture, a topic dominating search engine queries and academic discussions. The compound’s ability to act as a ligand or chelating agent further expands its applications in catalysis and material science, addressing the demand for green chemistry solutions.

From a synthetic perspective, dimethyl-1,3-oxazole-2-carboxylic acid is prized for its compatibility with cross-coupling reactions and click chemistry. These methods are frequently searched by chemists seeking efficient routes to complex molecules. The compound’s carboxylic acid moiety allows for straightforward derivatization, enabling the creation of amides, esters, and other derivatives with tailored properties. Such flexibility is crucial for high-throughput screening and combinatorial chemistry, which are central to modern drug development.

Analytical techniques like NMR spectroscopy and mass spectrometry are routinely employed to characterize dimethyl-1,3-oxazole-2-carboxylic acid, ensuring purity and consistency for industrial use. Quality control is a recurring theme in user queries, underscoring the importance of reliable chemical standards in research and manufacturing. The compound’s stability under standard conditions also makes it a practical choice for laboratories focusing on process optimization.

In the context of intellectual property, CAS 1240605-72-4 has been featured in patents related to biodegradable polymers and electronic materials. These applications resonate with the surge in searches for eco-friendly alternatives and advanced materials. The compound’s potential in organic electronics, such as OLEDs and conductive polymers, highlights its relevance to cutting-edge technology sectors.

To conclude, dimethyl-1,3-oxazole-2-carboxylic acid (CAS No. 1240605-72-4) exemplifies the intersection of fundamental chemistry and applied science. Its multifaceted utility across pharmaceuticals, agrochemicals, and materials engineering ensures its continued prominence in both academic and industrial settings. As research evolves, this compound is poised to play an even greater role in addressing global challenges, from healthcare innovation to environmental sustainability.

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