Cas no 500891-66-7 (1-(2,5-Dimethylthiophen-3-yl)butan-1-one)

1-(2,5-Dimethylthiophen-3-yl)butan-1-one is a specialized organic compound featuring a thiophene core substituted with methyl groups at the 2- and 5-positions, coupled with a butanone moiety at the 3-position. This structural configuration imparts unique reactivity and stability, making it valuable in synthetic chemistry applications, particularly as an intermediate in pharmaceuticals, agrochemicals, and material science. Its well-defined molecular framework allows for precise functionalization, enabling tailored modifications in complex syntheses. The compound exhibits favorable solubility in common organic solvents, facilitating its use in diverse reaction conditions. Its consistent purity and reliable performance make it a practical choice for research and industrial-scale processes requiring controlled thiophene-based building blocks.
1-(2,5-Dimethylthiophen-3-yl)butan-1-one structure
500891-66-7 structure
Product Name:1-(2,5-Dimethylthiophen-3-yl)butan-1-one
CAS No:500891-66-7
MF:C10H14OS
MW:182.282561779022
MDL:MFCD08059889
CID:1086411
PubChem ID:298608
Update Time:2025-07-01

1-(2,5-Dimethylthiophen-3-yl)butan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(2,5-Dimethylthiophen-3-yl)butan-1-one
    • 1-(2,5-dimethyl-3-thienyl)butan-1-one(SALTDATA: FREE)
    • 1-(2,5-dimethyl-[3]thienyl)-butan-1-one
    • AC1L6TDF
    • AG-F-68089
    • Ambcb4012561
    • CTK4J2123
    • NSC170822
    • 500891-66-7
    • NSC-170822
    • DB-190230
    • AKOS009348515
    • CS-0246308
    • 1-(2,5-DIMETHYL-3-THIENYL)BUTAN-1-ONE
    • MFCD08059889
    • CHEMBRDG-BB 4012561
    • BS-36609
    • EN300-321968
    • DTXSID30305459
    • 1-(2,5-Dimethyl-3-thienyl)-1-butanone
    • MDL: MFCD08059889
    • Inchi: 1S/C10H14OS/c1-4-5-10(11)9-6-7(2)12-8(9)3/h6H,4-5H2,1-3H3
    • InChI Key: MCYYNHOPHDOATQ-UHFFFAOYSA-N
    • SMILES: S1C(C)=CC(=C1C)C(CCC)=O

Computed Properties

  • Exact Mass: 182.07700
  • Monoisotopic Mass: 182.07653624g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 167
  • 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: 2.9
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • PSA: 45.31000
  • LogP: 3.34770

1-(2,5-Dimethylthiophen-3-yl)butan-1-one Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(2,5-Dimethylthiophen-3-yl)butan-1-one Pricemore >>

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Additional information on 1-(2,5-Dimethylthiophen-3-yl)butan-1-one

Comprehensive Overview of 1-(2,5-Dimethylthiophen-3-yl)butan-1-one (CAS No. 500891-66-7)

1-(2,5-Dimethylthiophen-3-yl)butan-1-one (CAS No. 500891-66-7) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This compound, characterized by its unique thiophene ring structure, is increasingly being explored for its potential applications in drug synthesis and functional materials. Researchers and industry professionals are particularly interested in its molecular properties, synthetic pathways, and versatile reactivity, making it a subject of ongoing scientific inquiry.

The compound’s chemical structure features a butanone moiety attached to a 2,5-dimethylthiophene ring, which contributes to its distinct electronic and steric properties. This structural configuration enables 1-(2,5-Dimethylthiophen-3-yl)butan-1-one to participate in various organic reactions, such as condensation, alkylation, and cyclization, which are critical for the development of novel compounds. Its CAS No. 500891-66-7 serves as a unique identifier, facilitating precise referencing in academic and industrial databases.

In recent years, the demand for thiophene derivatives like 1-(2,5-Dimethylthiophen-3-yl)butan-1-one has surged due to their role in pharmaceutical intermediates and active pharmaceutical ingredients (APIs). The compound’s ability to act as a building block in drug design has been highlighted in studies focusing on anti-inflammatory and antimicrobial agents. Additionally, its potential in material science—particularly in the development of organic semiconductors and conductive polymers—has sparked interest among researchers exploring next-generation electronic materials.

From a synthetic chemistry perspective, 1-(2,5-Dimethylthiophen-3-yl)butan-1-one is often synthesized via Friedel-Crafts acylation or cross-coupling reactions, which are well-documented in the literature. These methods ensure high yield and purity, making the compound accessible for further modifications. The growing emphasis on green chemistry has also led to the exploration of catalytic processes and solvent-free conditions to optimize its production, aligning with global sustainability goals.

Another area of interest is the compound’s spectroscopic properties, which are crucial for its identification and characterization. Techniques such as NMR, IR spectroscopy, and mass spectrometry are routinely employed to analyze its structure and confirm its chemical integrity. These analytical methods are essential for quality control in industrial settings, ensuring that the compound meets the stringent standards required for research and development.

Given the rising popularity of custom synthesis and contract manufacturing, 1-(2,5-Dimethylthiophen-3-yl)butan-1-one has become a sought-after product in the fine chemicals market. Companies specializing in organic synthesis often highlight its availability and scalability to meet the needs of diverse applications. Furthermore, its compatibility with high-throughput screening and combinatorial chemistry makes it a valuable asset in drug discovery pipelines.

In conclusion, 1-(2,5-Dimethylthiophen-3-yl)butan-1-one (CAS No. 500891-66-7) represents a versatile and highly functional compound with broad applicability across multiple scientific disciplines. Its structural uniqueness, reactivity, and potential for innovation continue to drive research and commercial interest. As advancements in organic synthesis and material science progress, this compound is poised to play a pivotal role in shaping future technologies and therapeutic solutions.

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