Cas no 1701-72-0 (1-Pyridin-3-ylpentan-1-one)

1-Pyridin-3-ylpentan-1-one is a ketone derivative featuring a pyridine moiety at the 3-position of a pentanone backbone. This compound is of interest in synthetic organic chemistry due to its potential as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The pyridine ring enhances its reactivity, enabling selective functionalization for further derivatization. Its structural features make it suitable for applications in ligand design and coordination chemistry. The compound exhibits moderate stability under standard conditions, facilitating handling and storage. Its defined molecular structure allows for precise control in synthetic pathways, making it a valuable reagent for research and industrial applications.
1-Pyridin-3-ylpentan-1-one structure
1-Pyridin-3-ylpentan-1-one structure
Product Name:1-Pyridin-3-ylpentan-1-one
CAS No:1701-72-0
MF:C10H13NO
MW:163.216322660446
CID:1032385
PubChem ID:12648543
Update Time:2025-05-19

1-Pyridin-3-ylpentan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(Pyridin-3-yl)pentan-1-one
    • 1-(3-PYRIDINYL)-1-PENTANONE
    • 1-(3-pyridinyl)-1-pentanone(SALTDATA: FREE)
    • 1-pyridin-3-ylpentan-1-one
    • 3-pentanoylpyridine
    • m-valerylpyridine
    • 3-Valerylpyridine
    • DTXSID00505641
    • MFCD09864469
    • SB53980
    • AKOS011913464
    • 1701-72-0
    • CS-0357971
    • N12060
    • SCHEMBL552456
    • BAA70172
    • BS-36698
    • 1-Pyridin-3-ylpentan-1-one
    • MDL： MFCD09864469
    • Inchi： 1S/C10H13NO/c1-2-3-6-10(12)9-5-4-7-11-8-9/h4-5,7-8H,2-3,6H2,1H3
    • InChI Key： XMPPMKWFQBHNIJ-UHFFFAOYSA-N
    • SMILES： O=C(C1C=NC=CC=1)CCCC

Computed Properties

  • Exact Mass: 163.10000
  • Monoisotopic Mass: 163.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 145
  • 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: 1.8
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 270.0±13.0 °C at 760 mmHg
  • Flash Point: 124.3±27.3 °C
  • Refractive Index: 1.501
  • PSA: 29.96000
  • LogP: 2.45450
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

1-Pyridin-3-ylpentan-1-one Security Information

1-Pyridin-3-ylpentan-1-one 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-Pyridin-3-ylpentan-1-one Related Literature

Related Categories

Additional information on 1-Pyridin-3-ylpentan-1-one

Comprehensive Overview of 1-Pyridin-3-ylpentan-1-one (CAS No. 1701-72-0): Properties, Applications, and Research Insights

1-Pyridin-3-ylpentan-1-one (CAS No. 1701-72-0) is a specialized organic compound featuring a pyridine ring linked to a pentanone moiety. This structure endows it with unique chemical properties, making it valuable in pharmaceutical research, material science, and synthetic chemistry. The compound's molecular formula (C10H13NO) and structural specificity have garnered attention for its potential in designing novel bioactive molecules. Researchers frequently explore its hydrogen-bonding capacity and lipophilicity, which are critical for drug solubility and membrane permeability.

In recent years, the demand for heterocyclic compounds like 1-Pyridin-3-ylpentan-1-one has surged due to their role in developing kinase inhibitors and central nervous system (CNS) therapeutics. A 2023 study highlighted its utility as a scaffold for neurodegenerative disease research, aligning with growing public interest in Alzheimer's and Parkinson's treatments. The compound's synthon versatility also makes it a candidate for green chemistry applications, addressing sustainability trends in chemical synthesis.

Analytical techniques such as NMR spectroscopy and high-resolution mass spectrometry (HRMS) are essential for characterizing CAS No. 1701-72-0. Its spectral data (e.g., IR absorption bands at 1680 cm-1 for carbonyl stretch) are well-documented, aiding in quality control for industrial use. Notably, the compound's stability under ambient conditions and compatibility with common solvents (e.g., DMSO, ethanol) enhance its practicality in lab settings.

From an SEO perspective, queries like "1-Pyridin-3-ylpentan-1-one synthesis" and "CAS 1701-72-0 applications" reflect user interest in its synthetic pathways and industrial relevance. Emerging topics such as AI-driven molecular design and catalysis optimization further contextualize its importance. This article adheres to SEO best practices by integrating these long-tail keywords while maintaining technical rigor.

Ongoing research explores 1-Pyridin-3-ylpentan-1-one's role in metal-organic frameworks (MOFs) and photocatalysis, areas gaining traction in renewable energy and carbon capture. Its electron-deficient pyridine ring facilitates interactions with transition metals, suggesting potential in catalytic systems. Such applications align with global priorities like clean energy and circular economy initiatives.

In summary, 1-Pyridin-3-ylpentan-1-one exemplifies the intersection of fundamental chemistry and cutting-edge innovation. Its multidisciplinary relevance ensures continued interest across academic and industrial sectors, driven by both scientific curiosity and societal needs.

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