Cas no 90953-78-9 (2-Methyl-2-(thiophen-2-yl)propanoic acid)

2-Methyl-2-(thiophen-2-yl)propanoic acid is a thiophene-substituted carboxylic acid derivative with potential applications in pharmaceutical and agrochemical research. Its structure, featuring a sterically hindered α-carbon and a thiophene ring, offers unique reactivity for synthesizing biologically active compounds. The compound’s carboxylic acid functionality allows for further derivatization, making it a versatile intermediate in organic synthesis. Its stability under standard conditions and compatibility with common reagents enhance its utility in multistep reactions. Researchers value this compound for its potential in developing novel heterocyclic frameworks, particularly in medicinal chemistry, where thiophene motifs are often explored for their pharmacological properties.
2-Methyl-2-(thiophen-2-yl)propanoic acid structure
90953-78-9 structure
Product Name:2-Methyl-2-(thiophen-2-yl)propanoic acid
CAS No:90953-78-9
MF:C8H10O2S
MW:170.228801250458
CID:2122231
Update Time:2025-05-24

2-Methyl-2-(thiophen-2-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-2-thiophen-2-yl-propionic acid
    • 2-Methyl-2-(2-thienyl)propanoic acid
    • 2-methyl-2-(thiophen-2-yl)propanoic acid
    • 2-Methyl-2-thien-2-ylpropanoic acid
    • QBXCXYLPNGWZKI-UHFFFAOYSA-N
    • NE27940
    • 2-Methyl-2-(2-thienyl)propionic acid
    • 2-Thiopheneacetic acid, alpha,alpha-dimethyl-
    • Z1259339977
    • 2-Methyl-2-(thiophen-2-yl)propanoic acid
    • Inchi: 1S/C8H10O2S/c1-8(2,7(9)10)6-4-3-5-11-6/h3-5H,1-2H3,(H,9,10)
    • InChI Key: QBXCXYLPNGWZKI-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C(C(=O)O)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 166
  • Topological Polar Surface Area: 65.5

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Additional information on 2-Methyl-2-(thiophen-2-yl)propanoic acid

Comprehensive Overview of 2-Methyl-2-(thiophen-2-yl)propanoic acid (CAS No. 90953-78-9): Properties, Applications, and Industry Insights

2-Methyl-2-(thiophen-2-yl)propanoic acid (CAS No. 90953-78-9) is a specialized organic compound featuring a unique molecular structure combining a thiophene ring with a propanoic acid backbone. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its potential as a building block for bioactive molecules. The presence of the thiophene moiety enhances its electronic properties, making it valuable in materials science, particularly in the development of conductive polymers and organic semiconductors.

In recent years, the demand for heterocyclic compounds like 2-Methyl-2-(thiophen-2-yl)propanoic acid has surged, driven by their versatility in drug discovery and functional materials. Researchers are particularly interested in its role as an intermediate in synthesizing nonsteroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. The compound’s carboxylic acid group allows for further derivatization, enabling the creation of esters, amides, and other derivatives with tailored properties.

From an industrial perspective, CAS No. 90953-78-9 is often discussed in the context of green chemistry and sustainable synthesis. With growing environmental concerns, manufacturers are exploring eco-friendly routes to produce such intermediates, including catalytic methods and solvent-free reactions. This aligns with the broader trend of reducing carbon footprints in chemical production, a topic frequently searched in academic and industrial databases.

The compound’s physicochemical properties, such as solubility, melting point, and stability, are critical for its application in formulation development. Analytical techniques like HPLC, NMR, and mass spectrometry are routinely employed to ensure purity and quality, addressing common queries from quality control professionals. Additionally, its compatibility with various solvents and reagents is a recurring theme in patent literature, reflecting its adaptability in multi-step syntheses.

Emerging trends in personalized medicine and bioconjugation have further highlighted the relevance of 2-Methyl-2-(thiophen-2-yl)propanoic acid. Its potential use in prodrug design and targeted drug delivery systems is under investigation, leveraging the thiophene ring’s ability to interact with biological targets. These applications resonate with current searches on "drug-likeness" and "molecular docking," underscoring the compound’s interdisciplinary appeal.

In summary, 2-Methyl-2-(thiophen-2-yl)propanoic acid (CAS No. 90953-78-9) represents a multifaceted compound with expanding applications across pharmaceuticals, materials science, and sustainable chemistry. Its structural features and derivatization potential continue to inspire innovation, making it a subject of ongoing research and commercial interest.

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