Cas no 17282-40-5 (1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide)

1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide is a quaternary ammonium compound featuring a pyridinium core functionalized with an ethoxycarbonylmethyl group. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly in the preparation of ionic liquids or phase-transfer catalysts. The bromide counterion enhances solubility in polar solvents, facilitating its use in homogeneous reaction systems. Its stability under mild conditions and compatibility with nucleophilic or electrophilic reagents make it suitable for applications in pharmaceutical and agrochemical research. The compound’s well-defined molecular architecture allows for precise modifications, enabling tailored physicochemical properties for specialized synthetic pathways.
1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide structure
17282-40-5 structure
Product Name:1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide
CAS No:17282-40-5
MF:C9H12BrNO2
MW:246.101081848145
MDL:MFCD00463694
CID:143786
PubChem ID:87028
Update Time:2025-05-19

1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide Chemical and Physical Properties

Names and Identifiers

    • N-(ethoxycarbonylmethyl)-pyridinium bromide
    • 1-(2-Ethoxy-2-oxoethyl)pyridin-1-ium bromide
    • 1-(2-Ethoxy-2-oxoethyl)pyridinium bromide
    • Pyridinium,1-(2-ethoxy-2-oxoethyl)-, bromide (1:1)
    • ethyl 2-pyridin-1-ium-1-ylacetate,bromide
    • Pyridinium-1-acetic acid ethyl·bromide
    • 1-(ethoxycarbonylmethyl)-pyridiniubromide
    • 1-(2-Oxo-2-ethoxyethyl)pyridinium·bromide
    • 1-(Ethoxycarbonylmethyl)pyridinium·bromide
    • PyridiniuM, 1-(2-ethoxy-2-oxoethyl)-, broMide
    • Carbethoxymethylpyridinium bromide
    • Ethoxycarbonylmethylpyridinium bromide
    • Pyridinium, 1-(ethoxycarbonylmethyl)-, bromide
    • N-(Ethoxycarbonylmethyl)pyridinium Bromide
    • ethyl 2-pyridin-1-ium-1-ylacetate bromide
    • ethoxyoxoethylpyridiniumbromide
    • Pyrid
    • 1-ethoxycarbonylmethylpyridinium bromide
    • CS-0151874
    • FT-0637522
    • Pyridinium, bromide, ethyl ester
    • SCHEMBL344154
    • (Carbethoxymethyl)pyridinium bromide
    • 17282-40-5
    • WLN: T6KJ A1VO2 &Q &E
    • DTXSID80938216
    • A811448
    • NSC-75239
    • 1-(2-ethoxy-2-oxoethyl)pyridin-1-iumbromide
    • NSC 75239
    • C73314
    • 5F-032
    • Pyridinium, 1-(carboxymethyl)-, bromide, ethyl ester
    • ethyl 2-pyridin-1-ium-1-ylacetate;bromide
    • AKOS005070645
    • PXBOIFNOMWXDFC-UHFFFAOYSA-M
    • MFCD00463694
    • N-ethoxycarbonylmethylpyridinium bromide
    • NSC75239
    • SY110028
    • J-503005
    • DB-043915
    • 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide
    • MDL: MFCD00463694
    • Inchi: 1S/C9H12NO2.BrH/c1-2-12-9(11)8-10-6-4-3-5-7-10;/h3-7H,2,8H2,1H3;1H/q+1;/p-1
    • InChI Key: PXBOIFNOMWXDFC-UHFFFAOYSA-M
    • SMILES: [Br-].O(CC)C(C[N+]1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 245.00500
  • Monoisotopic Mass: 245.00514g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 142
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 30.2

Experimental Properties

  • Melting Point: 137-139°C
  • PSA: 30.18000
  • LogP: -2.45880

1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide Security Information

  • HazardClass:IRRITANT

1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide Production Method

1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide Suppliers

Amadis Chemical Company Limited
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(CAS:17282-40-5)1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide
Order Number:A811448
Stock Status:in Stock
Quantity:5g/10g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:55
Price ($):213.0/357.0/715.0

Additional information on 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide

Professional Introduction to 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide (CAS No. 17282-40-5)

1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide, a compound with the chemical identifier CAS No. 17282-40-5, is a specialized chemical entity that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, characterized by its pyridinium core and ethoxyacetoxy side chain, exhibits unique structural and functional properties that make it a valuable intermediate in the development of novel therapeutic agents.

The molecular structure of 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide consists of a pyridinium ring substituted with a bromide ion and an ethoxyacetoxy group at the 2-position. This arrangement imparts a high degree of reactivity, making it a versatile building block for synthesizing more complex molecules. The pyridinium moiety, known for its ability to form stable coordination complexes with various biomolecules, has been extensively studied for its potential applications in drug design and delivery systems.

In recent years, the compound has been explored in the context of medicinal chemistry for its ability to modulate biological pathways. Specifically, research has focused on its potential as an intermediate in the synthesis of kinase inhibitors, which are critical in the treatment of various cancers and inflammatory diseases. The ethoxyacetoxy group provides a site for further functionalization, allowing chemists to tailor the compound's properties for specific biological targets.

One of the most compelling aspects of 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide is its role in the development of prodrugs. Prodrugs are pharmacologically inactive compounds that are converted into active drugs within the body. The structural features of this compound make it an ideal candidate for prodrug design due to its stability in circulation and subsequent conversion into active therapeutic agents upon metabolic activation. This approach has been particularly promising in enhancing drug bioavailability and reducing side effects.

Recent studies have also highlighted the compound's utility in the field of materials science. The pyridinium group's ability to form hydrogen bonds and coordinate with metal ions has led to investigations into its use as a ligand in catalytic systems. These studies suggest that 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide could be employed in asymmetric synthesis, where it helps to direct reactions towards enantiomerically pure products—a crucial requirement for many pharmaceuticals.

The synthesis of 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies, such as transition-metal-catalyzed cross-coupling reactions, have been employed to achieve high yields and purity. These techniques not only enhance the efficiency of production but also open up new possibilities for further functionalization.

In conclusion, 1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide (CAS No. 17282-40-5) is a multifaceted compound with significant potential in pharmaceutical research and industrial applications. Its unique structural features enable its use as an intermediate in drug synthesis, prodrug development, and catalytic systems. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in advancing chemical biology and medicinal chemistry.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:17282-40-5)1-(2-Ethoxy-2-oxoethyl)pyridinium Bromide
A811448
Purity:99%/99%/99%
Quantity:5g/10g/25g
Price ($):213.0/357.0/715.0
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