Cas no 3506-84-1 (4-(naphthalen-1-yl)butan-2-one)

4-(Naphthalen-1-yl)butan-2-one is a versatile organic compound featuring a naphthalene moiety linked to a butanone group. Its structure makes it valuable as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The compound's aromatic naphthalene ring contributes to its stability and reactivity, enabling selective functionalization for further derivatization. Its ketone functionality offers a reactive site for condensation, reduction, or nucleophilic addition reactions. The product is typically characterized by high purity, ensuring consistent performance in synthetic applications. Proper handling and storage under inert conditions are recommended to maintain its integrity.
4-(naphthalen-1-yl)butan-2-one structure
3506-84-1 structure
Product Name:4-(naphthalen-1-yl)butan-2-one
CAS No:3506-84-1
MF:C14H14O
MW:198.260364055634
CID:315668
PubChem ID:77043
Update Time:2025-06-08

4-(naphthalen-1-yl)butan-2-one Chemical and Physical Properties

Names and Identifiers

    • 2-Butanone,4-(1-naphthalenyl)-
    • 4-naphthalen-1-ylbutan-2-one
    • 4-(1-Naphthyl)butan-2-one
    • 4-(naphthalen-1-yl)butan-2-one
    • 3VX2UA4ECV
    • DTXSID10188565
    • 3506-84-1
    • MFCD11553502
    • 4-(1-NAPHTHALENYL)-2-BUTANONE
    • EN300-1869441
    • UNII-3VX2UA4ECV
    • EINECS 222-503-6
    • SCHEMBL4070601
    • CS-0275914
    • NS00029768
    • 2-Butanone, 4-(1-naphthalenyl)-
    • starbld0036676
    • Inchi: 1S/C14H14O/c1-11(15)9-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10H2,1H3
    • InChI Key: VEYCCHNUJNXSRR-UHFFFAOYSA-N
    • SMILES: O=C(C)CCC1C=CC=C2C=CC=CC=12

Computed Properties

  • Exact Mass: 198.10452
  • Monoisotopic Mass: 198.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 221
  • 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: 3.5
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Density: 1.063
  • Boiling Point: 332.9°Cat760mmHg
  • Flash Point: 167.4°C
  • Refractive Index: 1.59
  • PSA: 17.07

4-(naphthalen-1-yl)butan-2-one Pricemore >>

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Additional information on 4-(naphthalen-1-yl)butan-2-one

4-(Naphthalen-1-yl)butan-2-one (CAS No. 3506-84-1)

4-(Naphthalen-1-yl)butan-2-one, also known by its CAS number 3506-84-1, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound, characterized by its unique structure combining a naphthalene ring and a ketone group, has garnered attention due to its potential in drug discovery, material synthesis, and as a building block in organic chemistry.

The molecular structure of 4-(naphthalen-1-yl)butan-2-one consists of a naphthalene moiety attached to a four-carbon chain, with the ketone group positioned at the second carbon atom of the chain. This arrangement imparts the compound with distinct electronic and steric properties, making it an attractive candidate for various chemical reactions and applications.

Recent studies have highlighted the role of 4-(naphthalen-1-yL)butan-ketone in the development of novel materials, particularly in the field of organic electronics. Researchers have explored its ability to act as a precursor for the synthesis of advanced polymers and small molecules with tailored electronic properties.

In terms of physical properties, 4-(naphthalen-iyl)butan-ketone exhibits a melting point of approximately 78°C and a boiling point around 390°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and ethyl acetate makes it suitable for various synthetic procedures.

The synthesis of 4-(naphthalen-iyl)butan-ketone typically involves Friedel-Crafts acylation or other related methods, depending on the starting materials and desired regioselectivity. Recent advancements in catalytic systems have enabled more efficient and environmentally friendly routes to this compound.

Applications of 4-(naphthalen-iyl)butan-ketone span across multiple domains. In drug discovery, it serves as a valuable intermediate for the synthesis of bioactive compounds targeting various therapeutic areas such as cancer and inflammation.

In conclusion, 4-(naphthalen-iyl)butan-ketone (CAS No. 3506-) stands out as an important compound with diverse applications and ongoing research interest.

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