898788-87-9

Basic information

• Product Name: 2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE
• Synonyms: 2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE
• CAS NO: 898788-87-9
• Molecular Formula: C₁₅H₁₂F₂O
• Molecular Weight: 246.25
• Mol File: 898788-87-9.mol

Chemical Properties

• Boiling Point: 359.6°C at 760 mmHg
• Flash Point: 137.6°C
• Appearance: /
• Density: 1.191g/cm³
• Vapor Pressure: 2.35E-05mmHg at 25°C
• Refractive Index: 1.545
• CAS DataBase Reference: 2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE(898788-87-9)
• EPA Substance Registry System: 2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE(898788-87-9)

Safety Data

• Hazardous Substances Data: 898788-87-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE is used as a key intermediate in the synthesis of pharmaceuticals for its unique chemical structure that can be modified to create new drug candidates. Its fluorinated aromatic ring provides opportunities for the development of novel therapeutic agents with improved pharmacokinetic and pharmacodynamic properties.
Used in Organic Synthesis:
In the field of organic synthesis, 2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE serves as a versatile building block for the creation of a wide range of organic compounds. Its reactivity and the presence of fluorine atoms allow for various synthetic transformations, facilitating the synthesis of complex organic molecules with potential applications in various industries.
Used in Materials Science:
2',4'-DIFLUORO-3-PHENYLPROPIOPHENONE is utilized in materials science for the development of new materials with specific properties. Its unique structure can be incorporated into polymers, coatings, or other materials to enhance their performance, such as improving thermal stability, chemical resistance, or other desired characteristics.

InChI:InChI=1/C15H12F2O/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2

Upstream product

• 100-52-7 benzaldehyde 
• 364-83-0 2',4'-difluoroacetophenone 

Downstream Products

• 1621006-61-8 5-benzyl-4-(2,4-difluorophenyl)thiazol-2-amine 
• 1621006-57-2 C₁₅H₁₁BrF₂O 
• 1621006-46-9 5-benzyl-4-(2,4-difluorophenyl)-N-(4-methoxybenzyl)thiazol-2-amine 

Relevant articles and documents

2,4,5-Trisubstituted thiazole derivatives: A novel and potent class of non-nucleoside inhibitors of wild type and mutant HIV-1 reverse transcriptase

Novel 2,4,5-trisubstituted thiazole derivatives (TSTs) were designed and synthesized as HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs). Among the thirty-eight synthesized target compounds, thirty TSTs showed potent inhibition against HIV-1 replication in wild type HIV-1 at submicromolar concentrations (from 0.046 to 9.59 μM). Compounds 21, 23 and 24 were also tested on seven NNRTI-resistant HIV-1 strains, and all exhibited inhibitory effects with fold changes in IC50 ranging from 2.6 to 111, which were better than those of nevirapine (15.6-fold-371-fold). Docking simulations of compound 24 revealed a reasonable mechanism for the binding mode, and three-dimensional quantitative structure activity relationship (3-DQSAR) studies on this novel series of TST further elucidated the structure-activity relationship (SAR). The results suggested the great potential of TSTs as a novel class of NNRTIs with antiviral efficacy and a good resistance profile.

Azole compounds designed by molecular modelling show antifungal activity as predicted

Rational approaches involving drug discovery technologies such as computational and combinatorial chemistry and high throughput screening have been useful tools to design and discover new drugs more efficiently. The interplay among structure-activity relationships, computer modelling, chemical synthesis and pharmacological testing can lead to better products for a particular therapeutic purpose. The work presented in this paper reports an example of successful application of computer-aided drug design method to find new azole antifungal agents. The designed compounds have been synthesized in the laboratory and tested for antifungal activity against Candida albicans ATCC 24433 in vitro. Two compounds exhibit good activity in vitro, which can be optimized for better activity.