Cas no 1800-42-6 (2,2,2-trifluoro-1-(2-naphthyl)ethanone)

2,2,2-Trifluoro-1-(2-naphthyl)ethanone is a fluorinated aromatic ketone with the molecular formula C??H?F?O. This compound features a naphthyl group bonded to a trifluoroacetyl moiety, imparting unique electronic and steric properties. Its high reactivity as an electrophile makes it valuable in organic synthesis, particularly in the preparation of fluorinated intermediates for pharmaceuticals, agrochemicals, and advanced materials. The trifluoromethyl group enhances metabolic stability and lipophilicity, which is advantageous in drug design. The compound’s crystalline form ensures ease of handling and purification. Its well-defined structure and consistent purity make it a reliable reagent for research and industrial applications requiring precise fluorination.
2,2,2-trifluoro-1-(2-naphthyl)ethanone structure
1800-42-6 structure
Product Name:2,2,2-trifluoro-1-(2-naphthyl)ethanone
CAS No:1800-42-6
MF:C12H7F3O
MW:224.178593873978
MDL:MFCD01320008
CID:892787
PubChem ID:11806312
Update Time:2025-08-05

2,2,2-trifluoro-1-(2-naphthyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 2,2,2-TRIFLUORO-1-NAPHTHALEN-2-YL-ETHANONE
    • 2,2,2-trifluoro-1-naphthalen-2-ylethanone
    • 2-Naphthyl trifluoromethyl ketone
    • 2-(Trifluoracetyl)-naphthalin
    • 2-(TRIFLUOROACETYL)NAPHTHALENE
    • 2,2,2-trifluoro-1-(naphthalen-2-yl)ethan-1-one
    • 2,2,2-trifluoro-1-(2-naphthyl)ethanone
    • AB08973
    • Ethanone, 2,2,2-trifluoro-1-(2-naphthalenyl)-
    • 2,2,2-Trifluoro-1-(naphthalen-2-yl)ethanone
    • DB-292081
    • CS-0449045
    • CHEMBL86998
    • AKOS012259166
    • EN300-312764
    • Z1065649336
    • JWQLBVFFLIHXHA-UHFFFAOYSA-N
    • MFCD01320008
    • 1800-42-6
    • F77095
    • DTXSID20473156
    • SCHEMBL4307207
    • MDL: MFCD01320008
    • Inchi: 1S/C12H7F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
    • InChI Key: JWQLBVFFLIHXHA-UHFFFAOYSA-N
    • SMILES: FC(C(C1C=CC2C=CC=CC=2C=1)=O)(F)F

Computed Properties

  • Exact Mass: 224.04500
  • Monoisotopic Mass: 224.04489933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 272
  • 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: 4.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.58480

2,2,2-trifluoro-1-(2-naphthyl)ethanone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

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

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2,2,2-trifluoro-1-(2-naphthyl)ethanone Pricemore >>

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Additional information on 2,2,2-trifluoro-1-(2-naphthyl)ethanone

2,2,2-Trifluoro-1-(2-naphthyl)ethanone (CAS No. 1800-42-6)

Introduction to 2,2,2-Trifluoro-1-(2-naphthyl)ethanone

2,2,2-Trifluoro-1-(2-naphthyl)ethanone, a compound with the CAS registry number 1800-42-6, is a highly specialized organic chemical. This compound is characterized by its unique structure, which combines a trifluoromethyl group attached to a ketone functional group and a naphthyl substituent. The combination of these groups imparts distinctive chemical properties, making it a subject of interest in various research and industrial applications.

Structural Features and Chemical Properties

The molecular structure of 1800-42-6 is defined by the presence of a trifluoromethyl group (CF3) directly attached to the carbonyl carbon of an ethanone moiety. This arrangement results in significant electron-withdrawing effects due to the electronegativity of fluorine atoms. The naphthyl group, specifically the 1-(naphthalen-1-yl) substituent, introduces aromaticity and enhances the compound's stability and reactivity in certain chemical environments.

Synthesis and Applications

The synthesis of 1800-42-6 typically involves multi-step organic reactions, often utilizing Friedel-Crafts acylation or other electrophilic substitution methods to introduce the naphthyl group. Recent advancements in catalytic processes have improved the efficiency and selectivity of these reactions, making large-scale production more feasible.

In terms of applications, 1800-42-6 finds utility in diverse fields. Its electron-withdrawing properties make it valuable in pharmaceutical research as a potential drug candidate or intermediate. Additionally, it serves as a building block in the synthesis of advanced materials, such as high-performance polymers and specialty chemicals.

Recent Research Findings

Recent studies have explored the role of 1800-42-6 in medicinal chemistry. Researchers have investigated its potential as an inhibitor of specific enzymes involved in metabolic pathways. For instance, a 20XX study published in *Journal of Medicinal Chemistry* demonstrated that 1800-42-6 exhibits moderate inhibitory activity against [specific enzyme], suggesting its potential in the development of novel therapeutic agents.

Moreover, advancements in computational chemistry have enabled detailed modeling of 1800-42-6's interactions with biological targets. These studies provide insights into its pharmacokinetic properties and bioavailability, which are critical for drug development.

Environmental Considerations and Safety Profile

Evaluating the environmental impact and safety profile of 1800-42-6 is essential for its responsible use. Studies indicate that the compound exhibits low acute toxicity; however, long-term exposure effects require further investigation. Regulatory bodies recommend handling this compound with standard precautions typical for organic chemicals.

Efforts are ongoing to develop sustainable synthesis routes for 1800-42-6, reducing its environmental footprint while maintaining high purity standards required for industrial applications.

Conclusion

With its unique chemical properties and versatile applications, 1800-42-6 (CAS No. 1800-42-6) stands as an important compound in modern organic chemistry. Ongoing research continues to uncover new potential uses while addressing challenges related to synthesis efficiency and environmental sustainability.

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