Cas no 85359-50-8 (Cyclopentyl 3-methylphenyl ketone)

Cyclopentyl 3-methylphenyl ketone structure
85359-50-8 structure
Product Name:Cyclopentyl 3-methylphenyl ketone
CAS No:85359-50-8
MF:C13H16O
MW:188.265543937683
CID:1068294
PubChem ID:15323828
Update Time:2025-04-23

Cyclopentyl 3-methylphenyl ketone Chemical and Physical Properties

Names and Identifiers

    • Cyclopentyl 3-methylphenyl ketone
    • cyclopentyl-(3-methylphenyl)methanone
    • (3-Methylbenzoyl)cyclopentan
    • Cyclopentyl(3-methylphenyl)methanone
    • AKOS010015357
    • 85359-50-8
    • MFCD03841292
    • CYCLOPENTYL3-METHYLPHENYLKETONE
    • DTXSID20571489
    • cyclopentyl m-tolyl ketone
    • MDL: MFCD03841292
    • Inchi: 1S/C13H16O/c1-10-5-4-8-12(9-10)13(14)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3
    • InChI Key: PCHUAJXSGOXIRN-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C)C=1)C1CCCC1

Computed Properties

  • Exact Mass: 188.12000
  • Monoisotopic Mass: 188.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 17.1?2

Experimental Properties

  • Density: 1.034
  • Boiling Point: 298.6°C at 760 mmHg
  • Flash Point: 124.9°C
  • Refractive Index: 1.544
  • PSA: 17.07000
  • LogP: 3.36790

Cyclopentyl 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%

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Additional information on Cyclopentyl 3-methylphenyl ketone

Cyclopentyl 3-methylphenyl ketone (CAS No. 85359-50-8): A Comprehensive Overview

Cyclopentyl 3-methylphenyl ketone, identified by its Chemical Abstracts Service (CAS) number 85359-50-8, is a significant compound in the realm of organic chemistry and pharmaceutical research. This ketone, characterized by its cyclopentyl and 3-methylphenyl groups, has garnered attention due to its versatile applications and potential in synthetic chemistry. The unique structural features of this molecule make it a valuable intermediate in the development of various chemical entities, particularly in the pharmaceutical industry.

The compound's molecular structure consists of a cyclopentyl ring attached to a carbonyl group, which is further linked to a 3-methylphenyl moiety. This configuration imparts distinct electronic and steric properties, making Cyclopentyl 3-methylphenyl ketone a versatile building block for more complex molecules. The presence of the cyclopentyl group enhances the compound's stability and reactivity, while the 3-methylphenyl group introduces additional functionalization possibilities.

In recent years, Cyclopentyl 3-methylphenyl ketone has been explored for its potential in drug discovery and development. Its structural framework allows for modifications that can lead to novel bioactive compounds. Researchers have been particularly interested in its role as a precursor in synthesizing molecules with therapeutic properties. The compound's ability to undergo various chemical transformations, such as oxidation, reduction, and condensation reactions, makes it a valuable asset in synthetic organic chemistry.

One of the most compelling aspects of Cyclopentyl 3-methylphenyl ketone is its utility in the synthesis of pharmacologically active agents. Studies have demonstrated its effectiveness in generating intermediates that are precursors to drugs targeting various diseases. For instance, derivatives of this ketone have been investigated for their potential anti-inflammatory and analgesic effects. The structural flexibility of Cyclopentyl 3-methylphenyl ketone allows chemists to tailor the properties of the resulting compounds, optimizing them for specific biological activities.

The pharmaceutical industry has shown particular interest in leveraging the unique properties of Cyclopentyl 3-methylphenyl ketone to develop new treatments. Researchers have utilized computational methods to predict how modifications to this molecule can enhance its bioavailability and efficacy. These studies often involve molecular modeling techniques that simulate the interactions between Cyclopentyl 3-methylphenyl ketone and biological targets, providing insights into how it can be optimized for therapeutic use.

Furthermore, the compound has found applications beyond pharmaceuticals. In materials science, for example, derivatives of Cyclopentyl 3-methylphenyl ketone have been explored for their potential use in polymer synthesis and as additives to improve material properties. The ability of this molecule to form stable complexes with other substances makes it a promising candidate for developing new materials with enhanced functionalities.

The synthesis of Cyclopentyl 3-methylphenyl ketone itself is an area of active research. Chemists have developed various synthetic routes to produce this compound efficiently and on an industrial scale. These methods often involve multi-step processes that require careful optimization to ensure high yields and purity. Recent advancements in catalytic processes have particularly improved the efficiency of synthesizing this ketone, making it more accessible for industrial applications.

The environmental impact of producing and using Cyclopentyl 3-methylphenyl ketone is also a consideration in modern research. Efforts are being made to develop greener synthetic methods that minimize waste and reduce energy consumption. These sustainable approaches are crucial for ensuring that the production of this valuable compound aligns with environmental regulations and promotes sustainable chemistry practices.

In conclusion, Cyclopentyl 3-methylphenyl ketone (CAS No. 85359-50-8) is a multifaceted compound with significant applications in pharmaceuticals, materials science, and synthetic chemistry. Its unique structural features make it a versatile intermediate for developing novel bioactive molecules and advanced materials. As research continues to uncover new possibilities for this compound, its importance in science and industry is likely to grow further.

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