Cas no 41938-64-1 (4'-FLUORO-3-PHENYLPROPIOPHENONE)

4'-Fluoro-3-phenylpropiophenone is a fluorinated aromatic ketone with the molecular formula C15H13FO. This compound features a propiophenone backbone substituted with a fluorine atom at the 4' position and a phenyl group at the 3 position, enhancing its utility in organic synthesis and pharmaceutical intermediates. Its structural properties make it valuable for applications in cross-coupling reactions, fluorination studies, and as a precursor for bioactive molecules. The fluorine substitution improves metabolic stability and binding affinity in medicinal chemistry applications. The compound is typically characterized by high purity and consistent performance, making it suitable for research and industrial-scale synthesis. Proper handling and storage are recommended due to its reactive ketone functionality.
4'-FLUORO-3-PHENYLPROPIOPHENONE structure
41938-64-1 structure
Product Name:4'-FLUORO-3-PHENYLPROPIOPHENONE
CAS No:41938-64-1
MF:C15H13FO
MW:228.261527776718
MDL:MFCD03842930
CID:876772
PubChem ID:11368162
Update Time:2025-06-09

4'-FLUORO-3-PHENYLPROPIOPHENONE Chemical and Physical Properties

Names and Identifiers

    • 4'-FLUORO-3-PHENYLPROPIOPHENONE
    • UKRORGSYN-BB BBV-5117175
    • 1-(4-fluorophenyl)-3-phenylpropan-1-one
    • 3-Phenyl-1-p-fluorphenyl-propan-1-on
    • 4-Fluor-dihydrochalcon
    • MDL: MFCD03842930
    • Inchi: 1S/C15H13FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
    • InChI Key: NSVLEVFNZSWFDB-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C(CCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 228.09500
  • Monoisotopic Mass: 228.095043196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 237
  • 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: 3.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.64120

4'-FLUORO-3-PHENYLPROPIOPHENONE 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%

4'-FLUORO-3-PHENYLPROPIOPHENONE Pricemore >>

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Additional information on 4'-FLUORO-3-PHENYLPROPIOPHENONE

Introduction to 4'-FLUORO-3-PHENYLPROPIOPHENONE (CAS No. 41938-64-1)

4'-FLUORO-3-PHENYLPROPIOPHENONE (CAS No. 41938-64-1) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound, also known as 4'-fluoro-3-phenylpropiophenone, is characterized by its unique molecular structure, which includes a fluorine atom and a phenylpropionyl group. These structural features contribute to its diverse applications in drug discovery, chemical synthesis, and advanced materials development.

The chemical formula of 4'-FLUORO-3-PHENYLPROPIOPHENONE is C15H12FNO2. Its molecular weight is approximately 255.26 g/mol. The compound is a white to off-white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dichloromethane. These physical properties make it suitable for various laboratory and industrial processes.

In the realm of medicinal chemistry, 4'-FLUORO-3-PHENYLPROPIOPHENONE has been explored for its potential as a building block in the synthesis of bioactive molecules. Recent studies have highlighted its role in the development of novel therapeutic agents targeting various diseases. For instance, researchers at the University of California, Los Angeles (UCLA) have utilized this compound as a key intermediate in the synthesis of selective serotonin reuptake inhibitors (SSRIs), which are widely used to treat depression and anxiety disorders.

Beyond its applications in pharmaceuticals, 4'-FLUORO-3-PHENYLPROPIOPHENONE has also shown promise in materials science. Its unique electronic properties make it a valuable component in the fabrication of organic semiconductors and optoelectronic devices. A study published in the Journal of Materials Chemistry C demonstrated that this compound can be used to enhance the performance of organic photovoltaic cells by improving charge transport and reducing recombination losses.

The synthesis of 4'-FLUORO-3-PHENYLPROPIOPHENONE typically involves multi-step processes that include condensation reactions, substitution reactions, and functional group modifications. One common synthetic route involves the reaction of 4-fluorobenzaldehyde with 3-phenylpropionyl chloride in the presence of a base such as triethylamine. This method yields high purity product with good yields, making it suitable for large-scale production.

Safety and handling considerations are crucial when working with 4'-FLUORO-3-PHENYLPROPIOPHENONE. While it is not classified as a hazardous material under current regulations, it is important to follow standard laboratory safety protocols to ensure safe handling and storage. Proper personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn at all times when handling this compound.

In conclusion, 4'-FLUORO-3-PHENYLPROPIOPHENONE (CAS No. 41938-64-1) is a multifaceted compound with significant potential in both medicinal chemistry and materials science. Its unique structural features and versatile applications make it an important molecule for researchers and industry professionals alike. As ongoing research continues to uncover new uses for this compound, it is likely to play an increasingly important role in the development of innovative solutions across various scientific disciplines.

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