Production Method 1

434-64-0

363-72-4

853-39-4

Reaction Conditions

1.1 Reagents: Antimony pentafluoride ;  5 h, 22 °C
2.1 Reagents: Antimony pentafluoride ;  10 h, 200 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  cooled

Reference

Formation of polyfluorofluorenes in the reactions of perfluoro-1,1-diphenylalkanes with antimony pentafluoride

Mezhenkova, Tatyana V.; et al, Journal of Fluorine Chemistry, 2018, 207, 59-66

Production Method 2

1766-76-3

853-39-4

Reaction Conditions

1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  2 h, reflux

Reference

Organocatalytic Michael Addition of Unactivated α-Branched Nitroalkanes to Afford Optically Active Tertiary Nitrocompounds

Lorea, Benat; et al, Organic Letters, 2023, 25(48), 8590-8595

Production Method 3

38845-73-7

853-39-4

Reaction Conditions

1.1 Reagents: Antimony pentafluoride ;  10 h, 200 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  cooled

Reference

Formation of polyfluorofluorenes in the reactions of perfluoro-1,1-diphenylalkanes with antimony pentafluoride

Mezhenkova, Tatyana V.; et al, Journal of Fluorine Chemistry, 2018, 207, 59-66

Production Method 4

344-04-7

853-39-4

4893-33-8

Reaction Conditions

1.1 Reagents: Magnesium Solvents: Diethyl ether ;  0 °C; 4 h, rt
1.2 rt; 36 h, rt; 4 h, reflux
1.3 Reagents: Hydrochloric acid Solvents: Water

Reference

The Tris(pentafluorophenyl)methylium Cation: Isolation and Reactivity

Hoffmann, Kurt F. ; et al, Angewandte Chemie, 2022, 61(28),

Production Method 5

853-39-4

119951-94-9

1766-76-3

83976-97-0

Reaction Conditions

Reference

The synthesis and rearrangement reactions of 2,3,4,5,6-pentafluorobenzyl methyl sulfoxide and 1,1-bis(pentafluorophenyl)methyl methyl sulfoxide

Brooke, Gerald M.; et al, Journal of Fluorine Chemistry, 1988, 41(2), 263-75

Production Method 6

434-64-0

363-72-4

853-39-4

Reaction Conditions

1.1 Catalysts: Antimony pentafluoride
1.2 Reagents: Water

Reference

Antimony(V) fluoride

Olah, George A.; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-6

Production Method 7

434-64-0

363-72-4

853-39-4

Reaction Conditions

1.1 Catalysts: Antimony pentafluoride
1.2 Catalysts: Water

Reference

Antimony(V) Fluoride

Olah, George A.; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

Production Method 8

1766-76-3

853-39-4

Reaction Conditions

1.1 Reagents: Oxygen Catalysts: Molybdovanadophosphoric acid (H5PMo10V2O40) Solvents: Toluene ;  5 min, rt; 5 h, 110 °C

Reference

Alcohols oxidation by oxygen O2 in presence of vanadoheteropoly acid (H5PMo10V2O40) as green catalyst

Norouzi, M.; et al, International Journal of ChemTech Research, 2010, 2(3), 1666-1672

Production Method 9

2251-50-5

1206-46-8

853-39-4

Reaction Conditions

1.1 Reagents: Silver fluoride Solvents: Propionitrile ;  1 h, rt
1.2 4 h, rt; 12 h, 75 - 80 °C

Reference

Silver compounds in synthetic chemistry. Part 2. A convenient synthesis of 2,3,4,5,6-pentafluorophenones, C6F5COR, from pentafluorophenylsilver, AgC6F5, and the corresponding acid chlorides, RCOCl

Kremlev, Mikhail M.; et al, Journal of Fluorine Chemistry, 2005, 126(9-10), 1327-1331

Production Method 10

853-39-4

Reaction Conditions

Reference

Organothallium compounds. XIV. Thermal decomposition of some polyfluorobenzoatobis(polyfluorophenyl)thallium(III) compounds

Deacon, Glen B.; et al, Australian Journal of Chemistry, 1978, 31(8), 1709-24

Production Method 11

1735-62-2

4830-57-3

853-39-4

Reaction Conditions

Reference

Organothallium compounds. XIV. Thermal decomposition of some polyfluorobenzoatobis(polyfluorophenyl)thallium(III) compounds

Deacon, Glen B.; et al, Australian Journal of Chemistry, 1978, 31(8), 1709-24

Production Method 12

392-56-3

15590-23-5

853-39-4

119951-94-9

1766-76-3

83976-97-0

Reaction Conditions

1.1 Reagents: Dimethyl sulfoxide
2.1 -

Reference

The synthesis and rearrangement reactions of 2,3,4,5,6-pentafluorobenzyl methyl sulfoxide and 1,1-bis(pentafluorophenyl)methyl methyl sulfoxide

Brooke, Gerald M.; et al, Journal of Fluorine Chemistry, 1988, 41(2), 263-75

Decafluorobenzophenone Raw materials

• Octafluorotoluene
• Thallium, bromobis(pentafluorophenyl)-
• Decafluorobenzhydrol
• Bromopentafluorobenzene
• Hexafluorobenzene
• Pentafluorobenzoyl chloride
• Methane, sulfinylbis-,ion(1-), sodium (9CI)
• Benzene, 1,1'-(difluoromethylene)bis[2,3,4,5,6-pentafluoro-
• Sodium 2,3,4,5,6-pentafluorobenzoate
• 1,2,3,4,5-pentafluorobenzene
• Trimethyl(pentafluorophenyl)silane

Decafluorobenzophenone Preparation Products

• Benzaldehyde, 2,3,5,6-tetrafluoro-4-(pentafluorobenzoyl)- (119951-94-9)
• Decafluorobenzhydrol (1766-76-3)
• Decafluorobenzophenone (853-39-4)
• Tris(pentafluorophenyl)methanol (4893-33-8)
• Benzene, pentafluoro(methylsulfinyl)- (83976-97-0)

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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzophenones
• Pharmaceutical and Biochemical Products Medicinal Building Blocks Fluorine containing Building Blocks

Decafluorobenzophenone (CAS No. 853-39-4): A Comprehensive Overview in Modern Chemical Research

Decafluorobenzophenone, with the chemical formula C₁₄F₁₀O, is a fluorinated aromatic compound characterized by its high molecular weight and unique electronic properties. Its CAS number, CAS No. 853-39-4, distinguishes it as a specific entity within the vast landscape of organic chemistry. This compound has garnered significant attention in recent years due to its versatile applications in pharmaceutical synthesis, material science, and advanced chemical research.

The structural integrity of Decafluorobenzophenone is defined by its benzophenone core, which is extensively fluorinated, resulting in a highly electron-deficient system. This fluorination pattern imparts exceptional stability and reactivity, making it a valuable intermediate in various synthetic pathways. The compound's high dipole moment and low solubility in polar solvents contribute to its utility in non-covalent interactions and supramolecular chemistry.

In the realm of pharmaceutical research, Decafluorobenzophenone has been explored as a key building block for the development of novel therapeutic agents. Its ability to participate in cross-coupling reactions, such as Suzuki-Miyaura and Heck reactions, facilitates the construction of complex molecular architectures. Recent studies have highlighted its role in synthesizing bioactive molecules with potential applications in anti-inflammatory and anticancer therapies. The fluorine atoms enhance metabolic stability and binding affinity, which are critical factors in drug design.

The material science applications of Decafluorobenzophenone are equally compelling. Its incorporation into polymer matrices improves thermal stability and mechanical strength, making it suitable for high-performance materials used in aerospace and electronics industries. Additionally, the compound's fluorescence properties have been leveraged in the development of organic light-emitting diodes (OLEDs) and sensors. The extended conjugation system and electron-withdrawing fluorine substituents optimize its photophysical characteristics, enabling efficient light emission and detection.

The synthesis of Decafluorobenzophenone typically involves multi-step fluorination processes, often employing reagents like hydrogen fluoride or Selectfluor?. These methods require precise control to achieve high regioselectivity and yield. Advances in catalytic systems have further refined these processes, reducing waste and improving efficiency. For instance, transition metal-catalyzed fluorination reactions have enabled the introduction of fluorine atoms at specific positions on the benzophenone ring with minimal side products.

The computational chemistry of Decafluorobenzophenone has also seen significant advancements. Density functional theory (DFT) calculations provide insights into its electronic structure and reactivity. These studies have revealed that the compound exhibits strong π-stacking interactions due to its rigid planar geometry, which is crucial for understanding its behavior in supramolecular assemblies. Such computational insights are invaluable for designing novel materials and drugs with tailored properties.

In conclusion, Decafluorobenzophenone (CAS No. 853-39-4) stands as a cornerstone molecule in modern chemical research. Its unique structural features and versatile reactivity make it indispensable in pharmaceutical synthesis, material science, and advanced chemical applications. As research continues to uncover new methodologies for its synthesis and utilization, its importance is poised to grow even further.

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