Cas no 770-85-4 (3-methyl-3-phenylbutan-2-one)

3-methyl-3-phenylbutan-2-one structure
3-methyl-3-phenylbutan-2-one structure
Product Name:3-methyl-3-phenylbutan-2-one
CAS No:770-85-4
MF:C11H14O
MW:162.228263378143
CID:536800
PubChem ID:285462
Update Time:2025-11-01

3-methyl-3-phenylbutan-2-one Chemical and Physical Properties

Names and Identifiers

    • 2-Butanone, 3-methyl-3-phenyl-
    • 3-methyl-3-phenylbutan-2-one
    • SCHEMBL343807
    • 3-methyl-3-phenyl-butan-2-one
    • 3-methyl-3-phenyl-2-butanone
    • LWBNJLNAXDUONB-UHFFFAOYSA-N
    • AT22669
    • EN300-68198
    • Z406676998
    • CS-0257824
    • DTXSID00301322
    • alpha,alpha-dimethylbenzyl methyl ketone
    • 770-85-4
    • cumyl methyl ketone
    • AKOS005216864
    • Inchi: 1S/C11H14O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3
    • InChI Key: LWBNJLNAXDUONB-UHFFFAOYSA-N
    • SMILES: O=C(C)C(C)(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 162.10452
  • Monoisotopic Mass: 162.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 164
  • 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: 2.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

3-methyl-3-phenylbutan-2-one Pricemore >>

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Additional information on 3-methyl-3-phenylbutan-2-one

Properties and Applications of 2-Butanone, 3-methyl-3-phenyl- (CAS No. 770-85-4)

2-Butanone, 3-methyl-3-phenyl-, with the chemical formula C11H14O, is a significant compound in the field of organic chemistry and pharmaceutical research. Its CAS number, 770-85-4, uniquely identifies it in scientific literature and industrial applications. This compound is characterized by a unique structural framework, featuring a ketone group attached to a tertiary carbon that is further substituted with a phenyl ring and a methyl group. Such structural features contribute to its distinct chemical properties and make it a valuable intermediate in synthetic chemistry.

The synthesis of 2-Butanone, 3-methyl-3-phenyl- involves multi-step organic reactions, often starting from readily available precursors such as acetophenone and isobutylene. The process typically requires precise control of reaction conditions to ensure high yield and purity. Advanced catalytic systems have been developed to optimize these reactions, reducing energy consumption and minimizing byproduct formation. Recent advancements in green chemistry have also influenced the synthesis routes, emphasizing sustainability and environmental responsibility.

In pharmaceutical research, 2-Butanone, 3-methyl-3-phenyl- has garnered attention due to its potential as a building block for more complex molecules. Its structural motif is found in several pharmacologically active compounds, making it a candidate for drug discovery programs. Researchers are exploring its utility in designing novel therapeutic agents targeting various diseases. For instance, studies have suggested that derivatives of this compound may exhibit inhibitory effects on certain enzymes implicated in metabolic disorders.

The compound's unique electronic properties, influenced by the phenyl ring and the ketone functionality, make it interesting for materials science applications as well. It serves as a precursor in the synthesis of liquid crystals and organic semiconductors, which are critical components in modern electronic devices. The ability to fine-tune its properties through functionalization allows scientists to tailor materials for specific applications, such as flexible displays or high-efficiency solar cells.

Recent research has also delved into the biological activity of 2-Butanone, 3-methyl-3-phenyl-. Studies indicate that certain derivatives may interact with biological targets, offering insights into potential therapeutic uses. For example, modifications to the phenyl ring can alter binding affinity to proteins or enzymes, which is crucial for drug design. Computational modeling techniques have been employed to predict how these modifications will affect the compound's behavior within biological systems.

The industrial significance of 2-Butanone, 3-methyl-3-phenyl- extends beyond pharmaceuticals and materials science. It is used as an intermediate in the production of fragrances and flavoring agents due to its ability to contribute specific aromatic profiles. Its role in fine chemical synthesis underscores its versatility and importance in various sectors of the chemical industry.

Quality control and analytical methods are essential when handling 2-Butanone, 3-methyl-3-phenyl. Techniques such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy are commonly employed to confirm purity and identify impurities. These analytical tools provide critical data for researchers and manufacturers to ensure that the compound meets the required specifications for its intended applications.

The future prospects for 2-Butanone, 3-methyl-3-phenyl are promising, with ongoing research uncovering new possibilities for its use. Innovations in synthetic chemistry may lead to more efficient production methods, while advances in drug discovery could reveal novel therapeutic applications. As scientists continue to explore its potential, this compound is likely to remain a cornerstone in both academic research and industrial applications.

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