Cas no 13679-75-9 (1-(2-Thienyl)-1-propanone)

1-(2-Thienyl)-1-propanone is a heterocyclic ketone featuring a thiophene ring linked to a propanone moiety. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its thiophene backbone contributes to enhanced reactivity and electronic properties, making it valuable for constructing complex molecular architectures. The ketone group allows for further functionalization through reactions such as nucleophilic addition or condensation. With its stable yet modifiable structure, 1-(2-Thienyl)-1-propanone is well-suited for applications requiring precise control over molecular design, including drug discovery and material science. Proper handling under standard laboratory conditions ensures consistent performance in synthetic workflows.
1-(2-Thienyl)-1-propanone structure
1-(2-Thienyl)-1-propanone structure
Product Name:1-(2-Thienyl)-1-propanone
CAS No:13679-75-9
MF:C7H8OS
MW:140.202820777893
MDL:MFCD00005446
CID:49411
Update Time:2026-05-14

1-(2-Thienyl)-1-propanone Chemical and Physical Properties

Names and Identifiers

    • 1-(Thiophen-2-yl)propan-1-one
    • 1-(2-Thienyl)-1-propanone
    • 2-Propionylthiophene
    • 1-thien-2-ylpropan-1-one
    • 2-Propanoylthiophene
    • 2-propionyl-thiophene
    • ETHYL 2-THIENYL KETONE
    • ETHYL THIENYL KETONE
    • Thiophene,2-propionyl
    • AKOS B000292
    • 1-(2-Thienyl)propanone
    • 1-(2-thienyl)-1-propanon
    • 2-(1-propionyl)thiophene
    • Thiophene, 2-propionyl
    • 1-(2-Thienyl)propan-1-one
    • 1-Propanone, 1-(2-thienyl)-
    • 1-thiophen-2-ylpropan-1-one
    • ETHYL-2-THIENYL KETONE
    • Ethyl-2-thienylketone
    • NY658TVP5M
    • 1-thiophene-2-yl-propan-1-one
    • MFPZQZZWAMAHOY-UHFFFAOYSA-N
    • Propiothienone
    • 2-propionyl
    • MDL: MFCD00005446
    • Inchi: 1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
    • InChI Key: MFPZQZZWAMAHOY-UHFFFAOYSA-N
    • SMILES: S1C([H])=C([H])C([H])=C1C(C([H])([H])C([H])([H])[H])=O
    • BRN: 108934

Computed Properties

  • Exact Mass: 140.03000
  • Monoisotopic Mass: 140.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 112
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.7
  • Topological Polar Surface Area: 45.3

Experimental Properties

  • Color/Form: Colorless or grayish yellow liquid
  • Density: 1.126?g/mL?at 25?°C(lit.)
  • Melting Point: No data available
  • Boiling Point: 228°C
  • Flash Point: Fahrenheit: 213.8 ° f < br / > Celsius: 101 ° C < br / >
  • Refractive Index: n20/D 1.553(lit.)
  • PSA: 45.31000
  • LogP: 2.34080
  • Solubility: Unable or difficult to mix

1-(2-Thienyl)-1-propanone Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H312-H332
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S36
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Risk Phrases:R20/21/22
  • Safety Term:S36
  • Storage Condition:Store at 4°C,-4At ℃Store…Better

1-(2-Thienyl)-1-propanone 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%

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Additional information on 1-(2-Thienyl)-1-propanone

Recent Advances in the Study of 1-(2-Thienyl)-1-propanone (CAS: 13679-75-9) and Its Applications in Chemical Biology and Pharmaceutical Research

1-(2-Thienyl)-1-propanone (CAS: 13679-75-9) is a thiophene-based ketone compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including potential drug candidates. Recent studies have explored its role in the development of novel therapeutic agents, particularly in the fields of oncology, neurology, and infectious diseases. This research brief aims to provide an overview of the latest advancements related to 1-(2-Thienyl)-1-propanone, focusing on its synthesis, biological activities, and potential clinical applications.

One of the most notable developments in the study of 1-(2-Thienyl)-1-propanone is its application in the synthesis of heterocyclic compounds with promising pharmacological properties. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the efficient use of this compound as a building block for the development of thiophene-fused derivatives with potent anti-inflammatory and analgesic effects. The researchers employed a multi-step synthetic route, starting with 1-(2-Thienyl)-1-propanone, to generate a library of novel compounds. Subsequent in vitro and in vivo assays revealed that several derivatives exhibited significant COX-2 inhibitory activity, suggesting their potential as non-steroidal anti-inflammatory drugs (NSAIDs) with reduced gastrointestinal side effects.

In the field of oncology, 1-(2-Thienyl)-1-propanone has been investigated as a precursor for the synthesis of small-molecule inhibitors targeting specific cancer-related pathways. A recent study highlighted in Bioorganic & Medicinal Chemistry Letters reported the design and synthesis of a series of thiophene-based analogs derived from 1-(2-Thienyl)-1-propanone, which showed selective inhibition of protein kinases involved in tumor proliferation. Molecular docking studies further elucidated the binding interactions between these analogs and their target kinases, providing valuable insights for structure-activity relationship (SAR) optimization. These findings underscore the potential of 1-(2-Thienyl)-1-propanone as a scaffold for developing targeted cancer therapies.

Beyond its applications in drug discovery, 1-(2-Thienyl)-1-propanone has also been explored in the context of neurodegenerative diseases. A 2022 publication in European Journal of Medicinal Chemistry detailed the synthesis of novel neuroprotective agents using this compound as a starting material. The resulting derivatives demonstrated significant antioxidant and anti-apoptotic activities in neuronal cell models, offering potential therapeutic avenues for conditions such as Alzheimer's and Parkinson's diseases. These studies highlight the compound's versatility and its ability to serve as a foundation for diverse medicinal chemistry applications.

In conclusion, recent research on 1-(2-Thienyl)-1-propanone (CAS: 13679-75-9) has revealed its broad utility in chemical biology and pharmaceutical development. From its role as a synthetic intermediate to its potential as a scaffold for bioactive molecules, this compound continues to inspire innovative approaches in drug discovery. Future studies are expected to further explore its applications, particularly in optimizing drug-like properties and expanding its therapeutic potential. As the field advances, 1-(2-Thienyl)-1-propanone is poised to remain a valuable tool for researchers aiming to address unmet medical needs through rational drug design.

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