Cas no 1701-71-9 (1-(Pyridin-4-yl)butan-1-one)

1-(Pyridin-4-yl)butan-1-one is a pyridine derivative with a ketone functional group, commonly utilized as an intermediate in organic synthesis and pharmaceutical research. Its structure, featuring a pyridyl moiety linked to a butanone chain, makes it valuable for constructing complex heterocyclic compounds. The compound exhibits good reactivity in nucleophilic addition and condensation reactions, enabling its use in the development of bioactive molecules and fine chemicals. Its stability under standard conditions and compatibility with various solvents enhance its practicality in laboratory settings. This compound is particularly relevant in medicinal chemistry for the synthesis of potential drug candidates targeting neurological and inflammatory pathways.
1-(Pyridin-4-yl)butan-1-one structure
1-(Pyridin-4-yl)butan-1-one structure
Product Name:1-(Pyridin-4-yl)butan-1-one
CAS No:1701-71-9
MF:C9H11NO
MW:149.189742326736
MDL:MFCD01656361
CID:147712
PubChem ID:15551
Update Time:2025-10-07

1-(Pyridin-4-yl)butan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(Pyridin-4-yl)butan-1-one
    • 1-Butanone,1-(4-pyridinyl)-
    • 1-pyridin-4-ylbutan-1-one
    • 4-Butyrylpyridine
    • 4-Butanoylpyridine
    • 1-(4-Pyridinyl)-1-butanone
    • 1-(4-Pyridinyl)butane-1-one
    • 1-Butanone, 1-(4-pyridinyl)-
    • CHEMBL2253150
    • Propyl 4-pyridyl ketone
    • AKOS010014807
    • MFCD01656361
    • 5-21-07-00437 (Beilstein Handbook Reference)
    • LS-46871
    • 1701-71-9
    • Ketone, propyl 4-pyridyl
    • SCHEMBL4952700
    • DS-6980
    • 1-BUTANONE, 1-(4-PYRIDYL)-
    • Pyridine, 4-butyryl-
    • 1-(4-Pyridyl)-1-butanone
    • n-propyl 4-pyridyl ketone
    • O10325
    • BRN 0117155
    • CS-0196852
    • DTXSID60168796
    • 4-BUTYRYL PYRIDINE
    • NS00113797
    • 1-(4-Pyridinyl)-1-butanone; 1-(4-Pyridyl)-1-butanone; 4-Pyridyl Propyl Ketone
    • SY121314
    • MDL: MFCD01656361
    • Inchi: 1S/C9H11NO/c1-2-3-9(11)8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
    • InChI Key: FHHKAXDNIISDHM-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CN=CC=1)CCC

Computed Properties

  • Exact Mass: 149.08413
  • Monoisotopic Mass: 149.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 128
  • 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: 1.1
  • Topological Polar Surface Area: 30A^2

Experimental Properties

  • Density: 1.0753 (rough estimate)
  • Boiling Point: 270.27°C (rough estimate)
  • Flash Point: 109.4°C
  • Refractive Index: 1.5760 (estimate)
  • PSA: 29.96

1-(Pyridin-4-yl)butan-1-one Pricemore >>

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