Cas no 1008304-86-6 (2-(3-Methyl-1,2-oxazol-4-yl)acetic acid)

2-(3-Methyl-1,2-oxazol-4-yl)acetic acid is a heterocyclic carboxylic acid featuring a methyl-substituted oxazole core. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its oxazole moiety imparts stability and reactivity, making it valuable for constructing complex molecular frameworks. The acetic acid side chain enhances its utility in coupling reactions, enabling further functionalization. The product is characterized by high purity and consistent performance, ensuring reliability in research and industrial applications. Its structural features make it suitable for use in medicinal chemistry, where it can contribute to the design of bioactive molecules with tailored properties.
2-(3-Methyl-1,2-oxazol-4-yl)acetic acid structure
1008304-86-6 structure
Product Name:2-(3-Methyl-1,2-oxazol-4-yl)acetic acid
CAS No:1008304-86-6
MF:C6H7NO3
MW:141.124681711197
MDL:MFCD22070919
CID:2113718
PubChem ID:53696053
Update Time:2025-05-20

2-(3-Methyl-1,2-oxazol-4-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-4-Isoxazoleacetic acid
    • 2-(3-methyl-1,2-oxazol-4-yl)acetic acid
    • 2-(3-Methylisoxazol-4-yl)acetic acid
    • BQPPLPCARCAHEG-UHFFFAOYSA-N
    • 4-Isoxazoleacetic acid, 3-methyl-
    • Z2510259339
    • 2-(3-Methyl-1,2-oxazol-4-yl)acetic acid
    • MDL: MFCD22070919
    • Inchi: 1S/C6H7NO3/c1-4-5(2-6(8)9)3-10-7-4/h3H,2H2,1H3,(H,8,9)
    • InChI Key: BQPPLPCARCAHEG-UHFFFAOYSA-N
    • SMILES: O1C=C(C(C)=N1)CC(=O)O

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: 2
  • Complexity: 137
  • 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
  • Topological Polar Surface Area: 63.3
  • XLogP3: 0.2

2-(3-Methyl-1,2-oxazol-4-yl)acetic acid Pricemore >>

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Additional information on 2-(3-Methyl-1,2-oxazol-4-yl)acetic acid

2-(3-Methyl-1,2-Oxazol-4-yl)Acetic Acid: A Comprehensive Overview

2-(3-Methyl-1,2-Oxazol-4-yl)acetic acid, also known by its CAS registry number 1008304-86-6, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of oxazole derivatives, which are widely studied due to their unique structural properties and potential applications in drug design. The molecule consists of a oxazole ring, a five-membered heterocyclic structure containing one oxygen and one nitrogen atom, substituted with a methyl group at position 3 and an acetic acid group at position 4. This substitution pattern imparts the compound with distinct chemical and biological properties.

The synthesis of 2-(3-Methyl-1,2-Oxazol-4-yl)acetic acid involves a series of well-established organic reactions. Typically, the oxazole ring is formed through the cyclization of an appropriate amino ketone or aldehyde derivative under acidic conditions. The introduction of the methyl group at position 3 can be achieved via alkylation or methylation reactions, while the acetic acid moiety is introduced through nucleophilic substitution or coupling reactions. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound, reducing production costs and minimizing environmental impact.

In terms of biological activity, 2-(3-Methyl-1,2-Oxazol-4-yl)acetic acid has shown promising results in various pharmacological studies. Research conducted in 2023 demonstrated its potential as an anti-inflammatory agent by inhibiting key enzymes involved in inflammatory pathways. Additionally, studies have highlighted its antioxidant properties, which may be beneficial in combating oxidative stress-related diseases such as neurodegenerative disorders and cardiovascular diseases.

The structural versatility of this compound makes it a valuable building block in medicinal chemistry. Its oxazole ring can be further functionalized to explore new chemical entities with enhanced bioactivity. For instance, recent research has focused on the incorporation of electron-withdrawing groups to improve the compound's solubility and bioavailability. These modifications have led to derivatives that exhibit improved pharmacokinetic profiles, making them more suitable for therapeutic applications.

From an industrial perspective, the production and application of CAS No. 1008304-86-6 are subject to rigorous quality control measures to ensure safety and efficacy. The compound is often used as an intermediate in the synthesis of more complex molecules, including pharmaceuticals and agrochemicals. Its stability under various reaction conditions makes it a reliable component in large-scale manufacturing processes.

In conclusion, 2-(3-Methyl-1,2-Oxazol-4-yl)acetic acid stands out as a versatile and biologically active compound with diverse applications across multiple disciplines. Ongoing research continues to uncover new insights into its chemical properties and therapeutic potential, solidifying its role as an important molecule in modern chemistry.

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