Cas no 898768-18-8 (3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE)

3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE structure
898768-18-8 structure
Product Name:3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE
CAS No:898768-18-8
MF:C16H14F2O
MW:260.278571605682
CID:877649
PubChem ID:24725706
Update Time:2025-07-19

3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE Chemical and Physical Properties

Names and Identifiers

    • 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE
    • 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-one
    • DTXSID50644099
    • MFCD07699605
    • AKOS016020993
    • 898768-18-8
    • MDL: MFCD07699605
    • Inchi: 1S/C16H14F2O/c1-11-3-2-4-12(9-11)5-8-16(19)13-6-7-14(17)15(18)10-13/h2-4,6-7,9-10H,5,8H2,1H3
    • InChI Key: PXZGDYXPCIZMHP-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(=C1)C(CCC1C=CC=C(C)C=1)=O)F

Computed Properties

  • Exact Mass: 260.10100
  • Monoisotopic Mass: 260.10127139g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 305
  • 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: 4.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.167
  • Boiling Point: 378.9°C at 760 mmHg
  • Flash Point: 144.7°C
  • Refractive Index: 1.542
  • PSA: 17.07000
  • LogP: 4.08870

3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE 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%

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Additional information on 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE

Introduction to 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE (CAS No. 898768-18-8)

3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE (CAS No. 898768-18-8) is a multifaceted compound with significant applications in the fields of organic synthesis, medicinal chemistry, and materials science. This article aims to provide a comprehensive overview of the compound, including its chemical structure, physical properties, synthesis methods, and recent research developments.

The chemical structure of 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE is characterized by a propiophenone core with two fluorine atoms at the 3' and 4' positions and a 3-methylphenyl substituent. This unique arrangement of functional groups imparts distinct chemical and physical properties to the compound, making it an attractive candidate for various applications.

In terms of physical properties, 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE is a solid at room temperature with a melting point of approximately 120°C. It is sparingly soluble in water but exhibits good solubility in organic solvents such as ethanol, acetone, and dichloromethane. These solubility characteristics are crucial for its use in various synthetic and analytical processes.

The synthesis of 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE can be achieved through several methods. One common approach involves the condensation of 3-methylbenzaldehyde with 2-fluorobenzoyl chloride in the presence of a base such as triethylamine. The resulting intermediate can then be further modified to introduce the second fluorine atom at the 4' position through a series of fluorination reactions. This synthetic route has been extensively studied and optimized to improve yield and purity.

In the realm of medicinal chemistry, 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE has garnered attention due to its potential as a lead compound for drug development. Recent studies have explored its biological activities, including its anti-inflammatory and anti-cancer properties. For instance, research published in the Journal of Medicinal Chemistry reported that derivatives of this compound exhibit potent inhibitory effects on specific cancer cell lines, suggesting its potential as a therapeutic agent.

Beyond medicinal applications, 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE has also found use in materials science. Its unique electronic properties make it suitable for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). Studies have shown that incorporating this compound into polymer blends can enhance the performance of these devices by improving charge transport and stability.

The environmental impact of 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE is another area of active research. Efforts are being made to develop more sustainable synthesis methods that minimize waste and reduce the use of hazardous reagents. Green chemistry principles are increasingly being applied to ensure that the production and use of this compound align with environmental standards.

In conclusion, 3',4'-DIFLUORO-3-(3-METHYLPHENYL)PROPIOPHENONE (CAS No. 898768-18-8) is a versatile compound with a wide range of applications in organic synthesis, medicinal chemistry, and materials science. Its unique chemical structure and properties make it an important molecule for ongoing research and development efforts. As new studies continue to uncover its potential uses and optimize its synthesis methods, this compound is likely to play an increasingly significant role in various scientific and industrial fields.

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