Cas no 1256818-46-8 (1-(5-Cyclopropylpyridin-3-yl)ethanone)

1-(5-Cyclopropylpyridin-3-yl)ethanone is a specialized organic compound featuring a cyclopropyl-substituted pyridine core with an acetyl functional group. This structure imparts unique reactivity and versatility, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The cyclopropyl group enhances steric and electronic properties, while the pyridine ring offers coordination potential for metal-catalyzed reactions. Its well-defined molecular framework ensures consistent performance in cross-coupling, condensation, and other fine chemical transformations. The compound’s stability under standard conditions facilitates handling and storage. Suitable for research and industrial applications, it serves as a key building block in the development of bioactive molecules and functional materials. Purity and precise characterization are typically confirmed via GC/MS, NMR, and HPLC.
1-(5-Cyclopropylpyridin-3-yl)ethanone structure
1256818-46-8 structure
Product Name:1-(5-Cyclopropylpyridin-3-yl)ethanone
CAS No:1256818-46-8
MF:C10H11NO
MW:161.200442552567
MDL:MFCD18254233
CID:1034540
PubChem ID:71301981
Update Time:2025-05-23

1-(5-Cyclopropylpyridin-3-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Cyclopropylpyridin-3-yl)ethanone
    • D94456
    • AS-77200
    • A850907
    • 1-(5-Cyclopropylpyridin-3-yl)ethan-1-one
    • J-503432
    • 1-(5-Cyclopropyl-3-pyridinyl)ethanone
    • Ethanone, 1-(5-cyclopropyl-3-pyridinyl)-
    • CS-0155106
    • MFCD18254233
    • 1256818-46-8
    • DTXSID50744487
    • FT-0697490
    • DB-311104
    • MDL: MFCD18254233
    • Inchi: 1S/C10H11NO/c1-7(12)9-4-10(6-11-5-9)8-2-3-8/h4-6,8H,2-3H2,1H3
    • InChI Key: LQOWFPZJEOHITB-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CN=CC(=C1)C1CC1

Computed Properties

  • Exact Mass: 161.084063974g/mol
  • Monoisotopic Mass: 161.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 1.4
  • Topological Polar Surface Area: 30?2

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Additional information on 1-(5-Cyclopropylpyridin-3-yl)ethanone

1-(5-Cyclopropylpyridin-3-yl)ethanone: A Comprehensive Overview

1-(5-Cyclopropylpyridin-3-yl)ethanone (CAS No. 1256818-46-8) is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as 1-(5-cyclopropylpyridin-3-yl)ethanone, is characterized by its unique chemical structure, which includes a cyclopropyl group attached to a pyridine ring and an ethanone moiety. The combination of these functional groups endows the compound with a range of biological activities and potential therapeutic applications.

The chemical structure of 1-(5-Cyclopropylpyridin-3-yl)ethanone (CAS No. 1256818-46-8) is defined by its molecular formula C10H12N2O and molecular weight of 176.21 g/mol. The cyclopropyl group, known for its strain energy and unique reactivity, contributes to the compound's stability and bioavailability. The pyridine ring, a common motif in many biologically active molecules, provides the compound with aromatic character and potential for interactions with biological targets.

In recent years, 1-(5-Cyclopropylpyridin-3-yl)ethanone has been extensively studied for its potential as a lead compound in drug discovery. One of the key areas of research has been its activity as a modulator of ion channels, particularly calcium channels. Studies have shown that this compound can selectively modulate L-type calcium channels, which are involved in various physiological processes such as muscle contraction, neurotransmitter release, and hormone secretion. This selective modulation makes it a promising candidate for the treatment of cardiovascular diseases and neurological disorders.

Beyond its role in ion channel modulation, 1-(5-Cyclopropylpyridin-3-yl)ethanone has also been investigated for its anti-inflammatory properties. In vitro studies have demonstrated that the compound can inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6 in immune cells. This anti-inflammatory activity suggests potential applications in the treatment of inflammatory diseases such as arthritis and inflammatory bowel disease.

The pharmacokinetic properties of 1-(5-Cyclopropylpyridin-3-yl)ethanone have also been studied to evaluate its suitability as a therapeutic agent. Research has shown that the compound exhibits good oral bioavailability and favorable pharmacokinetic profiles in preclinical models. These properties are crucial for ensuring that the compound can be effectively delivered to target tissues and maintain therapeutic concentrations over time.

In addition to its biological activities, the synthetic accessibility of 1-(5-Cyclopropylpyridin-3-yl)ethanone (CAS No. 1256818-46-8) is another factor that contributes to its appeal in drug discovery. The compound can be synthesized through various routes, including palladium-catalyzed cross-coupling reactions and cycloaddition reactions. These synthetic methods allow for efficient production on both laboratory and industrial scales, facilitating further development and optimization.

The safety profile of 1-(5-Cyclopropylpyridin-3-yl)ethanone has also been evaluated in preclinical studies. Toxicity assessments have shown that the compound is well-tolerated at therapeutic doses, with no significant adverse effects observed in animal models. These findings support its potential for further clinical development.

In conclusion, 1-(5-Cyclopropylpyridin-3-yl)ethanone (CAS No. 1256818-46-8) is a promising compound with a diverse range of biological activities and potential therapeutic applications. Its unique chemical structure, favorable pharmacokinetic properties, and good safety profile make it an attractive candidate for further research and development in the fields of medicinal chemistry and pharmaceutical science.

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