Cas no 122417-23-6 (Methyl 4-(thiophen-3-yl)butanoate)

Methyl 4-(thiophen-3-yl)butanoate is a thiophene-containing ester compound with applications in organic synthesis and pharmaceutical intermediates. Its structure combines a thiophene heterocycle with a flexible butanoate chain, offering reactivity for further functionalization. The ester group enhances solubility in organic solvents, facilitating use in coupling reactions or as a building block for more complex molecules. The thiophene moiety contributes to electronic properties, making it valuable in materials science or medicinal chemistry research. This compound is typically characterized by high purity and stability under standard conditions, ensuring reliable performance in synthetic workflows. Its balanced lipophilicity and molecular weight make it suitable for drug discovery applications.
Methyl 4-(thiophen-3-yl)butanoate structure
122417-23-6 structure
Product Name:Methyl 4-(thiophen-3-yl)butanoate
CAS No:122417-23-6
MF:C9H12O2S
MW:184.255381584167
CID:1088729
PubChem ID:70628282
Update Time:2025-06-14

Methyl 4-(thiophen-3-yl)butanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(thiophen-3-yl)butanoate
    • methyl 4-thiophen-3-ylbutanoate
    • DTXSID40742538
    • 122417-23-6
    • Methyl4-(thiophen-3-yl)butanoate
    • SCHEMBL19824761
    • 3-Thiophenebutanoic acid, methyl ester
    • Inchi: 1S/C9H12O2S/c1-11-9(10)4-2-3-8-5-6-12-7-8/h5-7H,2-4H2,1H3
    • InChI Key: OVGQHSQVDXREMA-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1)CCCC(=O)OC

Computed Properties

  • Exact Mass: 184.05580079g/mol
  • Monoisotopic Mass: 184.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • 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: 2
  • Topological Polar Surface Area: 54.5?2

Methyl 4-(thiophen-3-yl)butanoate Pricemore >>

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Additional information on Methyl 4-(thiophen-3-yl)butanoate

Comprehensive Overview of Methyl 4-(thiophen-3-yl)butanoate (CAS No. 122417-23-6): Properties, Applications, and Industry Insights

Methyl 4-(thiophen-3-yl)butanoate (CAS No. 122417-23-6) is an organic compound featuring a thiophene ring linked to a butanoate ester group. This structure grants it unique chemical properties, making it valuable in pharmaceutical intermediates, fragrance synthesis, and material science. The thiophene moiety enhances its reactivity, while the ester group improves solubility, aligning with modern demands for versatile building blocks in green chemistry.

In recent years, the compound has gained attention due to the rising interest in heterocyclic chemistry and sustainable synthesis methods. Researchers frequently search for "thiophene derivatives applications" or "esterification optimization techniques," reflecting its relevance in drug discovery and industrial processes. Its CAS No. 122417-23-6 is often queried in chemical databases for purity verification and regulatory compliance.

The synthesis of Methyl 4-(thiophen-3-yl)butanoate typically involves catalytic esterification or cross-coupling reactions, topics trending in "catalytic organic synthesis 2024" discussions. Its role as a precursor for bioactive molecules connects it to hot topics like "AI-driven drug design" and "high-throughput screening," where efficient intermediates are critical.

From an industrial perspective, this compound aligns with the shift toward bio-based solvents and low-toxicity additives. Manufacturers prioritize "sustainable chemical alternatives"—a keyword cluster where 122417-23-6 appears in R&D reports. Its stability under mild conditions also makes it suitable for "flow chemistry systems," a growing field in process optimization.

Analytical studies highlight its spectroscopic fingerprints (e.g., NMR, IR), often searched as "thiophene ester characterization." Regulatory-wise, it falls under general safety protocols, avoiding classifications that restrict its use. This flexibility boosts its adoption in flavor & fragrance formulations, where "non-GRAS ingredient innovation" is a key trend.

In summary, Methyl 4-(thiophen-3-yl)butanoate exemplifies the intersection of traditional organic chemistry and contemporary industrial needs. Its CAS No. 122417-23-6 serves as a gateway for researchers exploring "structure-activity relationships" or "green chemistry metrics," ensuring its continued relevance in scientific and commercial landscapes.

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