Cas no 898790-40-4 (Cyclobutyl 3-methylphenyl ketone)

Cyclobutyl 3-methylphenyl ketone is a specialized organic compound featuring a cyclobutyl group attached to a ketone functionality with a 3-methylphenyl substituent. This structure imparts unique reactivity and steric properties, making it valuable in synthetic organic chemistry, particularly in the development of pharmaceuticals and fine chemicals. Its rigid cyclobutyl ring enhances conformational stability, while the methylphenyl group offers opportunities for further functionalization. The compound is commonly utilized as an intermediate in the synthesis of complex molecules, where its distinct framework can influence stereochemical outcomes. High purity grades are available to ensure consistency in research and industrial applications.
Cyclobutyl 3-methylphenyl ketone structure
898790-40-4 structure
Product Name:Cyclobutyl 3-methylphenyl ketone
CAS No:898790-40-4
MF:C12H14O
MW:174.238963603973
MDL:MFCD03841246
CID:1068515
PubChem ID:24724114
Update Time:2025-10-31

Cyclobutyl 3-methylphenyl ketone Chemical and Physical Properties

Names and Identifiers

    • Cyclobutyl 3-methylphenyl ketone
    • cyclobutyl-(3-methylphenyl)methanone
    • MFCD03841246
    • CYCLOBUTYL3-METHYLPHENYLKETONE
    • AKOS006277870
    • DTXSID30642513
    • cyclobutyl(m-tolyl)methanone
    • Cyclobutyl(3-methylphenyl)methanone
    • 898790-40-4
    • MDL: MFCD03841246
    • Inchi: 1S/C12H14O/c1-9-4-2-7-11(8-9)12(13)10-5-3-6-10/h2,4,7-8,10H,3,5-6H2,1H3
    • InChI Key: LHNLEUIZSLSCMZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C)C=1)C1CCC1

Computed Properties

  • Exact Mass: 174.10400
  • Monoisotopic Mass: 174.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 2.97780

Cyclobutyl 3-methylphenyl ketone Customs Data

  • HS CODE:2914399090
  • Customs Data:

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Cyclobutyl 3-methylphenyl ketone Pricemore >>

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Additional information on Cyclobutyl 3-methylphenyl ketone

Cyclobutyl 3-methylphenyl ketone (CAS No. 898790-40-4): A Comprehensive Overview

Cyclobutyl 3-methylphenyl ketone, identified by the chemical compound code CAS No. 898790-40-4, is a significant molecule in the realm of organic chemistry and pharmaceutical research. This compound, featuring a cyclobutyl moiety attached to a 3-methylphenyl ketone backbone, has garnered attention due to its unique structural properties and potential applications in various scientific domains.

The molecular structure of Cyclobutyl 3-methylphenyl ketone consists of a cyclobutane ring fused with a phenyl group that is substituted with a methyl group at the third position. This configuration imparts distinct electronic and steric properties to the molecule, making it a valuable candidate for synthetic chemistry and drug development. The presence of the ketone functional group further enhances its reactivity, allowing for diverse chemical transformations that can be exploited in laboratory settings.

In recent years, the study of heterocyclic compounds has seen substantial growth, and Cyclobutyl 3-methylphenyl ketone has emerged as a compound of interest in this field. Its structural motif is reminiscent of several biologically active molecules, suggesting potential applications in medicinal chemistry. Researchers have been exploring its utility as a building block for more complex scaffolds, aiming to develop novel therapeutic agents with improved pharmacological profiles.

One of the most compelling aspects of Cyclobutyl 3-methylphenyl ketone is its role in catalytic processes. The compound has been investigated as a ligand or intermediate in various catalytic reactions, including cross-coupling reactions and oxidation processes. These reactions are pivotal in the synthesis of fine chemicals and pharmaceuticals, where efficient and selective transformations are crucial. The cyclobutyl group, in particular, has been found to influence the electronic properties of the molecule, thereby modulating reaction outcomes.

Recent advancements in computational chemistry have enabled researchers to delve deeper into the mechanistic aspects of reactions involving Cyclobutyl 3-methylphenyl ketone. Molecular modeling studies have revealed insights into how this compound interacts with catalysts and substrates, providing a foundation for designing more effective synthetic strategies. These computational approaches are complemented by experimental investigations, which have confirmed the theoretical predictions and expanded our understanding of the compound's behavior.

The pharmaceutical industry has shown particular interest in Cyclobutyl 3-methylphenyl ketone due to its potential as an intermediate in drug synthesis. Several research groups have reported on its use in developing novel small molecules targeting various diseases. For instance, derivatives of this compound have been explored as inhibitors of enzymes involved in inflammatory pathways, highlighting its therapeutic promise. The versatility of its structure allows for modifications that can fine-tune its biological activity, making it a versatile tool for drug discovery.

In addition to its pharmaceutical applications, Cyclobutyl 3-methylphenyl ketone has found utility in materials science. Its unique electronic properties make it suitable for use in organic electronics, where it can contribute to the development of new materials for optoelectronic devices. The ability to tune its properties through structural modifications opens up possibilities for creating advanced functional materials with tailored characteristics.

The synthesis of Cyclobutyl 3-methylphenyl ketone presents an interesting challenge due to its complex structure. However, advances in synthetic methodologies have made it more accessible than ever before. Modern techniques such as transition metal-catalyzed reactions and asymmetric synthesis have enabled chemists to construct this molecule with high precision and yield. These improvements have not only facilitated research but also paved the way for large-scale production if needed.

As our understanding of molecular interactions continues to evolve, so does the potential application of Cyclobutyl 3-methylphenyl ketone. Emerging fields such as nanotechnology and biotechnology are beginning to explore its utility, suggesting that this compound may play a role beyond traditional chemical applications. Its unique combination of structural features makes it a promising candidate for interdisciplinary research efforts aimed at solving complex scientific problems.

In conclusion, Cyclobutyl 3-methylphenyl ketone (CAS No. 898790-40-4) is a multifaceted compound with significant implications across multiple scientific disciplines. Its structural characteristics and reactivity make it a valuable asset in synthetic chemistry, pharmaceutical research, and materials science. As ongoing research continues to uncover new possibilities for this molecule, its importance is likely to grow further, solidifying its place as a key player in modern chemical science.

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