Production Method 1

456-55-3

85013-98-5

Reaction Conditions

1.1 Catalysts: Boron trifluoride ,  Hydrofluoric acid

Reference

Hydrofluoric acid-boron trifluoride catalyzed acylation of trifluoromethoxybenzene

Desbois, Michel, Bulletin de la Societe Chimique de France, 1986, (6), 885-90

Production Method 2

456-55-3

85013-98-5

Reaction Conditions

1.1 Reagents: Iron chloride (FeCl3)

Reference

Aromatic substitution. 53. Electrophilic nitration, halogenation, acylation, and alkylation of (α,α,α-trifluoromethoxy)benzene

Olah, George A.; et al, Journal of the American Chemical Society, 1987, 109(12), 3708-13

Production Method 3

99-93-4

17111-95-4

85013-98-5

Reaction Conditions

1.1 Solvents: Dichloromethane ;  70 min, -100 - -90 °C
1.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  3 h, -90 °C → -10 °C

Reference

CF3 Oxonium Salts, O-(Trifluoromethyl)dibenzofuranium Salts: In Situ Synthesis, Properties, and Application as a Real CF3+ Species Reagent

Umemoto, Teruo; et al, Journal of Organic Chemistry, 2007, 72(18), 6905-6917

Production Method 4

1452768-00-1

85013-98-5

Reaction Conditions

1.1 Reagents: Oxygen Catalysts: Phosphinic acid, phenyl-, octyl ester ;  rt; 15 h, 130 °C

Reference

Clean Oxidation of (Hetero)benzylic Csp3-H Bonds with Molecular Oxygen

Liu, Kai-Jian; et al, ACS Sustainable Chemistry & Engineering, 2019, 7(12), 10293-10298

Production Method 5

1493-11-4

99-93-4

85013-98-5

Reaction Conditions

1.1 Reagents: Triphenylphosphine Solvents: Tetrahydrofuran ;  15 min, 0 °C
1.2 Reagents: Diisopropyl azodicarboxylate ;  0 °C; overnight, rt

Reference

Identification of new aryl hydrocarbon receptor (AhR) antagonists using a zebrafish model

Jeong, Jieun; et al, Bioorganic & Medicinal Chemistry, 2019, 27(19),

Production Method 6

220351-01-9

85013-98-5

Reaction Conditions

1.1 Reagents: Antimonate(1-), hexafluoro-, (OC-6-11)-, nitrosyl (1:1) Solvents: Dichloromethane ;  rt → -78 °C; 3 h, -78 °C → 0 °C
2.1 Solvents: Dichloromethane ;  70 min, -100 - -90 °C
2.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  3 h, -90 °C → -10 °C

Reference

CF3 Oxonium Salts, O-(Trifluoromethyl)dibenzofuranium Salts: In Situ Synthesis, Properties, and Application as a Real CF3+ Species Reagent

Umemoto, Teruo; et al, Journal of Organic Chemistry, 2007, 72(18), 6905-6917

Production Method 7

84349-27-9

99-93-4

85013-98-5

Reaction Conditions

1.1 Reagents: Sodium hydride Solvents: 1,4-Dioxane ;  30 min, rt
1.2 Solvents: 1,4-Dioxane ;  60 h, 80 °C; rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
2.1 Reagents: Tetrafluoroboric acid ,  1,4-Diazoniabicyclo[2.2.2]octane, 1-fluoro-4-methyl-, tetrafluoroborate(1-) (1:2… Catalysts: Silver nitrate Solvents: Dichloromethane ,  Water ;  12 h, 80 °C

Reference

O-Trifluoromethylation of Phenols: Access to Aryl Trifluoromethyl Ethers by O-Carboxydifluoromethylation and Decarboxylative Fluorination

Zhou, Min; et al, Organic Letters, 2016, 18(15), 3754-3757

Production Method 8

103273-01-4

175676-65-0

85013-98-5

Reaction Conditions

1.1 Reagents: Sodium bicarbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: 1,2-Dimethoxyethane ,  Water ;  64 h, reflux
2.1 Reagents: Antimonate(1-), hexafluoro-, (OC-6-11)-, nitrosyl (1:1) Solvents: Dichloromethane ;  rt → -78 °C; 3 h, -78 °C → 0 °C
3.1 Solvents: Dichloromethane ;  70 min, -100 - -90 °C
3.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  3 h, -90 °C → -10 °C

Reference

CF3 Oxonium Salts, O-(Trifluoromethyl)dibenzofuranium Salts: In Situ Synthesis, Properties, and Application as a Real CF3+ Species Reagent

Umemoto, Teruo; et al, Journal of Organic Chemistry, 2007, 72(18), 6905-6917

Production Method 9

85013-98-5

Reaction Conditions

1.1 Reagents: Tin ,  Hydrochloric acid Solvents: Ethanol ,  Water ;  2 h, reflux
2.1 Reagents: Phosphorus pentoxide Solvents: Isobutanol ;  12 h, 220 °C
3.1 Reagents: Antimonate(1-), hexafluoro-, (OC-6-11)-, nitrosyl (1:1) Solvents: Dichloromethane ;  rt → -78 °C; 3 h, -78 °C → 0 °C
4.1 Solvents: Dichloromethane ;  70 min, -100 - -90 °C
4.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  3 h, -90 °C → -10 °C

Reference

CF3 Oxonium Salts, O-(Trifluoromethyl)dibenzofuranium Salts: In Situ Synthesis, Properties, and Application as a Real CF3+ Species Reagent

Umemoto, Teruo; et al, Journal of Organic Chemistry, 2007, 72(18), 6905-6917

Production Method 10

456-55-3

85013-98-5

Reaction Conditions

1.1 Reagents: Aluminum chloride Solvents: Dichloromethane ;  0 °C; 30 min, rt

Reference

Design, synthesis and pharmacology of 1,1-bistrifluoromethylcarbinol derivatives as liver X receptor β-selective agonists

Koura, Minoru; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(13), 2668-2674

Production Method 11

1736-08-9

85013-98-5

Reaction Conditions

1.1 Catalysts: Palladium ,  Graphene (graphene oxide) Solvents: Acetonitrile ,  Water ;  30 min, 25 °C
1.2 Reagents: Hydrogen peroxide ;  12 h, 55 °C

Reference

Efficient Palladium(0) supported on reduced graphene oxide for selective oxidation of olefins using graphene oxide as a 'solid weak acid'

Gao, Xi; et al, Catalysis Communications, 2019, 122, 73-78

Production Method 12

14874-70-5

2070902-77-9

19262-73-8

85013-98-5

Reaction Conditions

1.1 Reagents: Cesium fluoride ,  Copper(I) triflate Solvents: Acetonitrile ;  1 h, 25 °C; 25 °C → -40 °C
1.2 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  -40 °C; 12 h, -40 °C

Reference

Visible-Light Photoredox-Catalyzed and Copper-Promoted Trifluoromethoxylation of Arenediazonium Tetrafluoroborates

Yang, Shaoqiang; et al, Angewandte Chemie, 2019, 58(23), 7840-7844

Production Method 13

910486-48-5

85013-98-5

Reaction Conditions

1.1 Reagents: Oxygen Catalysts: 18-Crown-6 ,  1-Butanaminium, N,N,N-tributyl-, eicosa-μ-oxodi-μ5-oxodecaoxodecatungstate(4-) (… Solvents: Water ;  24 h, 25 °C

Reference

Decatungstate-mediated solar photooxidative cleavage of C=C bonds using air as an oxidant in water

Xie, Pan; et al, Green Chemistry, 2021, 23(16), 5936-5943

Production Method 14

936543-15-6

85013-98-5

Reaction Conditions

1.1 Reagents: Tripotassium phosphate Catalysts: Palladium diacetate ,  Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phos… Solvents: tert-Butyl methyl ether ;  24 h, 60 °C
1.2 Reagents: Acetic acid ,  Sodium nitrite ;  24 h, 60 °C

Reference

Access to Ketones through Palladium-Catalyzed Cross-Coupling of Phenol Derivatives with Nitroalkanes Followed by Nef Reaction

He, Xiaoyu; et al, European Journal of Organic Chemistry, 2022, 2022(35),

Production Method 15

85013-98-5

Reaction Conditions

1.1 Reagents: Tetrafluoroboric acid ,  1,4-Diazoniabicyclo[2.2.2]octane, 1-fluoro-4-methyl-, tetrafluoroborate(1-) (1:2… Catalysts: Silver nitrate Solvents: Dichloromethane ,  Water ;  12 h, 80 °C

Reference

O-Trifluoromethylation of Phenols: Access to Aryl Trifluoromethyl Ethers by O-Carboxydifluoromethylation and Decarboxylative Fluorination

Zhou, Min; et al, Organic Letters, 2016, 18(15), 3754-3757

Production Method 16

99-92-3

85013-98-5

Reaction Conditions

1.1 Reagents: tert-Butyl nitrite ,  Tetrafluoroboric acid Solvents: Ethanol ,  Water ;  0 °C; 1 h, rt
2.1 Reagents: Cesium fluoride ,  Copper(I) triflate Solvents: Acetonitrile ;  1 h, 25 °C; 25 °C → -40 °C
2.2 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  -40 °C; 12 h, -40 °C

Reference

Visible-Light Photoredox-Catalyzed and Copper-Promoted Trifluoromethoxylation of Arenediazonium Tetrafluoroborates

Yang, Shaoqiang; et al, Angewandte Chemie, 2019, 58(23), 7840-7844

Production Method 17

175676-54-7

85013-98-5

Reaction Conditions

1.1 Reagents: Phosphorus pentoxide Solvents: Isobutanol ;  12 h, 220 °C
2.1 Reagents: Antimonate(1-), hexafluoro-, (OC-6-11)-, nitrosyl (1:1) Solvents: Dichloromethane ;  rt → -78 °C; 3 h, -78 °C → 0 °C
3.1 Solvents: Dichloromethane ;  70 min, -100 - -90 °C
3.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  3 h, -90 °C → -10 °C

Reference

CF3 Oxonium Salts, O-(Trifluoromethyl)dibenzofuranium Salts: In Situ Synthesis, Properties, and Application as a Real CF3+ Species Reagent

Umemoto, Teruo; et al, Journal of Organic Chemistry, 2007, 72(18), 6905-6917

Production Method 18

667-27-6

85013-98-5

Reaction Conditions

1.1 Reagents: Sodium hydroxide Solvents: Methanol ;  0 °C → rt; 24 h, rt
2.1 Reagents: Sodium hydride Solvents: 1,4-Dioxane ;  30 min, rt
2.2 Solvents: 1,4-Dioxane ;  60 h, 80 °C; rt
2.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
3.1 Reagents: Tetrafluoroboric acid ,  1,4-Diazoniabicyclo[2.2.2]octane, 1-fluoro-4-methyl-, tetrafluoroborate(1-) (1:2… Catalysts: Silver nitrate Solvents: Dichloromethane ,  Water ;  12 h, 80 °C

Reference

O-Trifluoromethylation of Phenols: Access to Aryl Trifluoromethyl Ethers by O-Carboxydifluoromethylation and Decarboxylative Fluorination

Zhou, Min; et al, Organic Letters, 2016, 18(15), 3754-3757

Production Method 19

175278-00-9

85013-98-5

Reaction Conditions

1.1 Catalysts: Copper ;  3 h, 190 °C
2.1 Reagents: Tin ,  Hydrochloric acid Solvents: Ethanol ,  Water ;  2 h, reflux
3.1 Reagents: Phosphorus pentoxide Solvents: Isobutanol ;  12 h, 220 °C
4.1 Reagents: Antimonate(1-), hexafluoro-, (OC-6-11)-, nitrosyl (1:1) Solvents: Dichloromethane ;  rt → -78 °C; 3 h, -78 °C → 0 °C
5.1 Solvents: Dichloromethane ;  70 min, -100 - -90 °C
5.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane ;  3 h, -90 °C → -10 °C

Reference

CF3 Oxonium Salts, O-(Trifluoromethyl)dibenzofuranium Salts: In Situ Synthesis, Properties, and Application as a Real CF3+ Species Reagent

Umemoto, Teruo; et al, Journal of Organic Chemistry, 2007, 72(18), 6905-6917

4'-(Trifluoromethoxy)acetophenone Raw materials

• Methanol, trifluoro-(6CI,8CI,9CI)
• Borate(1-),tetrafluoro-
• 2-bromo-4-tert-butyl-aniline
• 2'-(Trifluoromethoxy)-[1,1'-biphenyl]-2-amine
• 4-(Trifluoromethoxy)phenyl trifluoromethanesulphonate
• Benzene, 1-ethyl-4-(trifluoromethoxy)-
• Benzene, 1-(1-methylethenyl)-4-(trifluoromethoxy)-
• Trifluoromethyl 4-fluorobenzenesulfonate
• Sodium bromodifluoroacetate
• 4'-Aminoacetophenone
• (Trifluoromethoxy)benzene
• 1-(4-Hydroxyphenyl)ethanone
• 1-Iodo-2-(trifluoromethoxy)benzene
• o-(Trifluoromethoxy)phenylboronic Acid
• ethyl 2-bromo-2,2-difluoroacetate
• Benzenediazonium, 4-acetyl-
• 1-ethenyl-4-(trifluoromethoxy)benzene
• [1,1'-Biphenyl]-2-amine, 5-(1,1-dimethylethyl)-2'-(trifluoromethoxy)-

4'-(Trifluoromethoxy)acetophenone Preparation Products

• 4'-(Trifluoromethoxy)acetophenone (85013-98-5)

• 1. Ester-directed orthogonal dual C–H activation and ortho aryl C–H alkenylation via distal weak coordination?
  Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
• 2. Evolution of cellulose into flexible conductive green electronics: a smart strategy to fabricate sustainable electrodes for supercapacitors
  Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
• 3. Embedding cyclic nitrone in mesoporous silica particles for EPR spin trapping of superoxide and other radicals?
  Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
• 4. Evolution in surface coverage of CH3NH3PbI3?XClXvia heat assisted solvent vapour treatment and their effects on photovoltaic performance of devices
  Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
• 5. Evidence for the intrinsic nature of band-gap states electrochemically observed on atomically flat TiO2(110) surfaces?
  Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789

• Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Ketones
• Solvents and Organic Chemicals Organic Compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones

Exploring the Properties and Applications of 4'-(Trifluoromethoxy)acetophenone (CAS No. 85013-98-5)

4'-(Trifluoromethoxy)acetophenone (CAS No. 85013-98-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This compound, characterized by its trifluoromethoxy functional group, exhibits unique chemical properties that make it valuable in synthetic chemistry. Researchers and industry professionals often search for terms like "4'-(Trifluoromethoxy)acetophenone synthesis", "CAS 85013-98-5 applications", and "trifluoromethoxy derivatives in drug development", reflecting its growing relevance in modern science.

The molecular structure of 4'-(Trifluoromethoxy)acetophenone features an acetophenone core with a trifluoromethoxy substituent at the para position. This configuration contributes to its stability and reactivity, making it a versatile intermediate in organic synthesis. Recent studies highlight its role in the development of fluorinated compounds, which are increasingly sought after due to their enhanced bioavailability and metabolic stability. Keywords such as "fluorinated acetophenone uses" and "85013-98-5 chemical properties" are frequently queried, underscoring the compound's importance in advanced research.

In the pharmaceutical industry, 4'-(Trifluoromethoxy)acetophenone is often utilized as a building block for active pharmaceutical ingredients (APIs). Its trifluoromethoxy group is particularly valuable in designing molecules with improved pharmacokinetic profiles. Searches for "4'-(Trifluoromethoxy)acetophenone in drug discovery" and "CAS 85013-98-5 pharmaceutical applications" reveal a strong interest in its potential to address challenges in medicinal chemistry. Additionally, the compound's role in agrochemicals and specialty chemicals is another area of exploration, as evidenced by queries like "trifluoromethoxy derivatives in agriculture".

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In conclusion, 4'-(Trifluoromethoxy)acetophenone (CAS No. 85013-98-5) is a multifaceted compound with broad applications in pharmaceuticals, agrochemicals, and materials science. Its unique trifluoromethoxy moiety and synthetic versatility make it a subject of ongoing research and innovation. As interest in fluorinated compounds continues to rise, this compound is poised to play a pivotal role in addressing contemporary scientific and industrial challenges.

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• 87996-56-3(Methanone,(4-fluorophenyl)[4-(trifluoromethoxy)phenyl]-)
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• 83882-67-1(1-[4-(Difluoromethoxy)phenyl]ethan-1-one)
• 182678-46-2(1-(4-(Fluoromethoxy)phenyl)ethan-1-one)
• 101975-23-9(3'-(Difluoromethoxy)acetophenone)
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