Name Pentafluorobenzoic acid Synonyms 2,3,4,5,6-Pentafluorobenzoic acid Molecular Formula C7HF5O2 Mol
Cas:602-94-8
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inquiryProduct description: Product name Pentafluorobenzoic acid CAS number 602-94-8 Assay ≥98% Appearance White powder Capacity 200mt/year Application Pharmaceutical intermediate
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Product name Pentafluorobenzoic acid Molecular formula C7HF5O2 CAS 602-94-8 Molecular weight
1)quick response within 12 hours; 2)quality guarantee: all products are strictly tested by our qc, confirmed by qa and approved by third party lab in china, usa, canada, germany, uk, italy, france etc. 3) oem/odm available; 4) rea
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inquiryCompany Introduction 1. Established in 2005, with two independent business divisions: Fine chemicals division; Pharmaceutical division. 2. Main product: Optical brightener Textile auxiliary Dye stuff Pigments
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inquiry2,3,4,5,6-Pentafluorobenzoic acidAppearance:Colorless transparent liquid Storage:Keep away of light, cool place Package:according to customers' requirements Application:pharmaceutical intermediates Transportation:By air(EMS or EUB or FedEx or TNT ect
We are one of a few suppliers that can offer custom synthesis service of this product We are specialized in custom synthesis, chemical/pharmaceutical/ pesticides outsourcing and contract research. We are committed to prov
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inquiryProduct Name: Pentafluorobenzoic acid Synonyms: 2,3,4,5,6-pentafluoropropane acid;entafluorobenzoic acid;2,3,4,5,6-Pentafluorobenzoic acid, 98.0%(GC&T;2,3,4,5,6-Pentafluorobenzoic acid 99%;RARECHEM AL BO 0017;PERFLUOROBENZOIC ACID;PENTAFLUO
Cas:602-94-8
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inquiryProduct name: Pentafluorobenzoic Acid CAS No.:602-94-8 Molecule Formula:C7HF5O2 Molecule Weight:212.07 Purity: 99.0% Package: 25kg/drum Description:White crystalline powder Manufacture Standards:Enterprise Standard TESTING ITEMS
Cas:602-94-8
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inquiryConditions | Yield |
---|---|
With cobalt(II) 2,9,16,23-phthalocyanine tetrasulfonic acid In water; acetonitrile at 20℃; under 760.051 Torr; for 150h; UV-irradiation; | 100% |
With 9-oxyl-9-azabicyclo<3.3.1>nonan-3-one; oxygen; nitric acid; sodium nitrite In water; acetonitrile at 23℃; under 760.051 Torr; for 8h; Sealed tube; | 85% |
Multi-step reaction with 2 steps 1: pyridine / benzene 2: H2SO4 View Scheme |
pentafluorobenzoyl peroxide
1,4-dimethoxybezene
A
Pentafluorobenzoic acid
B
2,3,4,5,6-Pentafluoro-benzoic acid 2,5-dimethoxy-phenyl ester
C
C22H8F10O6
Conditions | Yield |
---|---|
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 25℃; Product distribution; Rate constant; Mechanism; different starting concentration ratios; | A 98% B n/a C n/a |
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 25℃; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With sulfuric acid In water at 155℃; for 2h; Temperature; | 95.3% |
With sulfuric acid In water at 145 - 165℃; for 15h; | |
With sulfuric acid hydrolysis at 180°C, with 75 % H2SO4; |
pentafluorobenzoyl peroxide
1,3-Dimethoxybenzene
A
Pentafluorobenzoic acid
B
2,3,4,5,6-Pentafluoro-benzoic acid 2,4-dimethoxy-phenyl ester
C
C22H8F10O6
Conditions | Yield |
---|---|
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 50℃; Product distribution; Rate constant; Mechanism; different starting concentration ratios; | A 95% B n/a C n/a |
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 50℃; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With diethylene glycol dimethyl ether at 70℃; for 0.5h; Sonication; | 95% |
With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide In water; acetonitrile at 20℃; aq. buffer; | 82% |
pentafluorobenzoyl peroxide
A
Pentafluorobenzoic acid
B
tert-butyl 2,3,4,5,6-pentafluorobenzoate
Conditions | Yield |
---|---|
In various solvent(s) at 20℃; Product distribution; Oxidation; | A 30% B 74% C 94% |
In various solvent(s) at 20℃; Oxidation; | A 30% B 74% C 94% |
Conditions | Yield |
---|---|
With carbon dioxide In diethyl ether; water react. of (C6F5)3SiH with CH3Li at -50°C, 1 h gives after treatment of the react. product with CO2 in H2O/H(1+) C6F5COOH; | 90% |
With CO2 In diethyl ether; water react. of (C6F5)3SiH with CH3Li at -50°C, 1 h gives after treatment of the react. product with CO2 in H2O/H(1+) C6F5COOH; | 90% |
Conditions | Yield |
---|---|
With formic acid; dihydrogen peroxide for 5h; | 89% |
Conditions | Yield |
---|---|
With sodium hydroxide at 20℃; | 87% |
Multi-step reaction with 3 steps 1: 85 percent / pyridine / diethyl ether / 1.5 h / Heating 2: 80 percent / H2 / 5 percent Pd/C / methanol / 760 Torr / Ambient temperature 3: 5 percent / potassium carbonate / H2O / 10 h / Heating View Scheme |
Conditions | Yield |
---|---|
Stage #1: bromopentafluorobenzene; carbon dioxide With tert.-butyl lithium In pentane at -70℃; Inert atmosphere; Stage #2: With sulfuric acid; water In pentane at 20℃; Inert atmosphere; | 86% |
N-pentafluorophenyl-pentafluorophenylaldimine
A
pentafluoronitrobenzen
B
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide; trifluoroacetic anhydride In dichloromethane for 10h; Heating; | A 85% B 82% |
pentafluorobenzoyl peroxide
2-methyl-5-tert-butyl-1,4-dimethoxybenzene
A
Pentafluorobenzoic acid
B
tert-butyl 2,3,4,5,6-pentafluorobenzoate
Conditions | Yield |
---|---|
In various solvent(s) at 20℃; Product distribution; Oxidation; | A 85% B 19% C 24% D 75% |
In various solvent(s) at 20℃; Oxidation; | A 85% B 19% C 24% D 78% |
pentafluorobenzoyl peroxide
A
Pentafluorobenzoic acid
B
tert-butyl 2,3,4,5,6-pentafluorobenzoate
Conditions | Yield |
---|---|
In various solvent(s) at 20℃; Product distribution; Oxidation; | A 85% B 15% C 17% D n/a |
pentafluorobenzoyl peroxide
A
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
In various solvent(s) at 20℃; Oxidation; | A 85% B 17% C n/a D n/a |
carbon dioxide
bis-(pentafluoro phenyl) magnesium
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
In tetrahydrofuran reaction at 20°C, 3 hours;; | 83% |
In tetrahydrofuran reaction at 20°C, 3 hours;; | 83% |
bis(α-pentafluoroanilino-2,3,4,5,6-pentafluorobenzyl)peroxide
trifluoroacetic anhydride
A
Pentafluorobenzoic acid
B
α,α,α,2,3,4,5,6-octafluoroacetanilide
Conditions | Yield |
---|---|
With dihydrogen peroxide In dichloromethane for 5h; | A 71% B 79% |
Conditions | Yield |
---|---|
With antimony pentafluoride; trifluoroacetic acid at 50℃; for 11h; | 76% |
With carbon monoxide; fluorosulfonylchloride; antimony pentafluoride at 80℃; under 15200 Torr; for 24h; | 60% |
With carbon monoxide; fluorosulfonylchloride; antimony pentafluoride at 80℃; under 15200 Torr; for 24h; Product distribution; -80 - -70deg C as temper. for 2 h.; | 60% |
With sulfuric acid | |
With water; antimony pentafluoride; silica gel 1.) 70 deg C, 5 h; Yield given. Multistep reaction; |
pentafluorobenzoyl peroxide
A
Pentafluorobenzoic acid
B
tert-butyl 2,3,4,5,6-pentafluorobenzoate
Conditions | Yield |
---|---|
In various solvent(s) at 20℃; Product distribution; Oxidation; | A 75% B 24% C 31% D 69% |
In various solvent(s) at 20℃; Oxidation; | A 75% B 24% C 31% D 69% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; acetic acid In dichloromethane at 20℃; for 5h; | A 58% B 70% |
pentafluorobenzoyl peroxide
A
Pentafluorobenzoic acid
B
tert-butyl 2,3,4,5,6-pentafluorobenzoate
Conditions | Yield |
---|---|
In various solvent(s) at 20℃; Product distribution; Oxidation; | A 70% B 30% C 33% D 66% |
pentafluorobenzoyl peroxide
2-Methyl-1,4-benzoquinone
A
Pentafluorobenzoic acid
B
tert-butyl 2,3,4,5,6-pentafluorobenzoate
Conditions | Yield |
---|---|
In various solvent(s) at 20℃; Oxidation; | A 70% B 30% C 33% D 66% |
carbon dioxide
2,3,4,5,6-pentafluorophenylmagnesium bromide
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
In tetrahydrofuran 0.5 hours;; | 67% |
In tetrahydrofuran 0.5 hours;; | 67% |
carbon dioxide
pentafluorophenylmagnesium chloride
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
In tetrahydrofuran 12 hours;; | 66% |
In tetrahydrofuran 12 hours;; | 66% |
In tetrahydrofuran reaction in BrCH2CH2Br, then in THF at 20°C, 1.5 hours;; | 41% |
In tetrahydrofuran reaction in BrCH2CH2Br, then in THF at 20°C, 1.5 hours;; | 41% |
In tetrahydrofuran reaction in BrCH2CH2Br, then in THF at 20°C, 1.5 hours;; | 41% |
1-chloro-2,3,4,5,6-pentafluorobenzene
carbon dioxide
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
Stage #1: 1-chloro-2,3,4,5,6-pentafluorobenzene With magnesium In tetrahydrofuran at 47 - 65℃; for 1.5h; Stage #2: carbon dioxide In tetrahydrofuran at -10 - 20℃; for 0.416667h; | 65% |
Stage #1: 1-chloro-2,3,4,5,6-pentafluorobenzene With magnesium In tetrahydrofuran at 10℃; Stage #2: carbon dioxide In tetrahydrofuran at -10 - 20℃; under 1137.76 - 1965.21 Torr; for 0.25 - 0.533333h; | 92 - 95 %Spectr. |
N-pentafluorophenyl-pentafluorophenylaldimine
trifluoroacetic anhydride
A
Pentafluorobenzoic acid
B
α,α,α,2,3,4,5,6-octafluoroacetanilide
Conditions | Yield |
---|---|
With dihydrogen peroxide In dichloromethane for 10h; | A 59% B 57% |
1,4-dimethoxy-2,5-dimethylbenzene
pentafluorobenzoyl peroxide
A
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 25℃; Product distribution; Rate constant; Mechanism; | A 53% B n/a C n/a |
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 25℃; Yield given. Yields of byproduct given; |
1,4-di-tert-butyl-2,5-dimethoxybenzene
pentafluorobenzoyl peroxide
A
Pentafluorobenzoic acid
B
tert-butyl 2,3,4,5,6-pentafluorobenzoate
C
2,3,4,5,6-Pentafluoro-benzoic acid 4-tert-butyl-2,5-dimethoxy-phenyl ester
E
C22H8F10O6
Conditions | Yield |
---|---|
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 25℃; Product distribution; Rate constant; Mechanism; | A 53% B 40% C n/a D n/a E n/a |
1,2,3,4,5-pentafluoro-6-(perfluoroallyl)benzene
A
Pentafluorobenzoic acid
B
heptafluorobenzeneacetic acid
Conditions | Yield |
---|---|
With (iron phthalocyanine)(μ-nitrido)(iron octapropylporphyrazine); dihydrogen peroxide In [D3]acetonitrile at 60℃; for 6h; Reagent/catalyst; | A 6% B 37% |
F-benzohydroxamic acid
A
2,3,4,5,6-pentafluoroaniline
B
Pentafluorobenzoic acid
C
1,2-(F-benz)isoxazol-3(2H)-one
Conditions | Yield |
---|---|
With potassium carbonate In water for 10h; Heating; | A 11% B 5% C 15% |
Conditions | Yield |
---|---|
With fluorine In sulfuric acid Ambient temperature; | 5% |
Conditions | Yield |
---|---|
With thionyl chloride for 2h; Reflux; | 100% |
With thionyl chloride for 3h; Reflux; | 99% |
With phosphorus pentachloride | 78% |
Conditions | Yield |
---|---|
With hydrogenchloride | 100% |
With thionyl chloride at 0℃; for 12h; Reflux; | 88% |
With thionyl chloride for 1h; Heating; |
(1R,2R)-(-)-N,N'-bis(3,5-di-tert-butylsalicydene)-1,2-cyclohexanediaminocobalt(II)
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
In toluene at 22℃; for 12h; | 100% |
In toluene (N2); std. Schlenk technique; toluene was added to mixt. of Co complex and acid; stirred in air at 22°C for 12 h; evapd.; pentane added; filtered; dried (vac.); |
Conditions | Yield |
---|---|
With water In aq. phosphate buffer at 25℃; for 15h; pH=2.7 - 3.2; Electrochemical reaction; | 100% |
Conditions | Yield |
---|---|
With water In ethanol at 0 - 20℃; for 0.0833333h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In toluene at 100 - 110℃; for 24h; Solvent; Temperature; | 99% |
With ammonia; copper In water at 180℃; for 0.25h; Temperature; Reagent/catalyst; | 94.6% |
In N,N-dimethyl-formamide at 160℃; for 2h; | 94.4% |
Pentafluorobenzoic acid
benzyl alcohol
benzyl 2,3,4,5,6-pentafluorobenzoate
Conditions | Yield |
---|---|
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 10h; | 99% |
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 3h; | 78% |
Pentafluorobenzoic acid
zinc(II) acetate dihydrate
zinc pentafluorobenzoate
Conditions | Yield |
---|---|
at 150℃; for 1.5h; | 99% |
Pentafluorobenzoic acid
pentafluorophenyl potassium carboxylate
Conditions | Yield |
---|---|
With potassium tert-butylate In ethanol at 20℃; for 1.5h; | 99% |
With potassium tert-butylate In ethanol at 20℃; for 1h; Inert atmosphere; | 99% |
With potassium tert-butylate In ethanol at 20℃; for 3h; Inert atmosphere; | |
With potassium tert-butylate In ethanol for 3h; Inert atmosphere; | |
With potassium tert-butylate In ethanol at 20℃; for 1.5h; |
Conditions | Yield |
---|---|
With air In dichloromethane at 20℃; Irradiation; | 99% |
Conditions | Yield |
---|---|
In diethyl ether at 20℃; for 24h; | 99% |
Pentafluorobenzoic acid
pentaphenylantimony
tetraphenylantimony pentafluorobenzoate
Conditions | Yield |
---|---|
In toluene heating at 90 °C for 1 h; solvent was removed, dry residue was recrystd. from a toluene-heptane (1:1) mixt.; | 98% |
Conditions | Yield |
---|---|
With dihydrogen peroxide In diethyl ether; water byproducts: H2O; react. of antimony compd. and acid with aq. H2O2 at room temp. in ether; elem. anal.; | 98% |
pentaphenylantimony
Pentafluorobenzoic acid
tetraphenylantimony pentafluorobenzoate
Conditions | Yield |
---|---|
In toluene heating a mixt. of antimony compd. and acid in toluene at 90°C for 1 h; evapn., crystn. (toluene/heptane 1:1); elem. anal.; | 98% |
Conditions | Yield |
---|---|
With H2O2 In diethyl ether (C6F5)COOH and 30% aq. H2O2 added to soln. of (p-tolyl)3Sb in ether; kept at 20°C for 12 h; crystals filtered off; dried; elem. anal.; | 98% |
Pentafluorobenzoic acid
4-cyanophenylboronic acid
Conditions | Yield |
---|---|
With palladium(II) trifluoroacetate; silver carbonate In dimethyl sulfoxide at 120℃; for 2h; Suzuki coupling; | 98% |
Conditions | Yield |
---|---|
With C58H34F18O6P2Ru; silver trifluoromethanesulfonate In toluene at 70℃; for 1h; Inert atmosphere; Schlenk technique; regioselective reaction; | 98% |
Conditions | Yield |
---|---|
With C58H34F18O6P2Ru; silver trifluoromethanesulfonate In toluene at 25℃; for 4h; Inert atmosphere; Schlenk technique; regioselective reaction; | 98% |
Pentafluorobenzoic acid
acetic anhydride
2,3,4,5,6-pentafluorobenzoic anhydride
Conditions | Yield |
---|---|
at 128℃; for 0.0833333h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
In chlorobenzene for 24h; Heating; | 97% |
Pentafluorobenzoic acid
triphenylantimony
triphenylantimony bis(pentafluorobenzoate)
Conditions | Yield |
---|---|
With dihydrogen peroxide In diethyl ether; water byproducts: H2O; addn. of acid and aq. H2O2 to a soln. of antimony compd. in ether, keeping for 12 h at 20°C; filtration, drying; elem. anal.; | 97% |
With H2O2 In diethyl ether (C6F5)COOH and 30% aq. H2O2 added to soln. of Ph3Sb in ether; kept at 20°C for 12 h; crystals filtered off; dried; elem. anal.; | 97% |
Pentafluorobenzoic acid
tri-p-fluorophenylstibine
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide In diethyl ether; water at 20℃; for 24h; | 97% |
With tert.-butylhydroperoxide In diethyl ether at 24℃; for 18h; | 94% |
Pentafluorobenzoic acid
cobalt(II) acetate
Conditions | Yield |
---|---|
Stage #1: C105H138N6O12; cobalt(II) acetate In toluene at 20℃; for 5h; Schlenk technique; Inert atmosphere; Stage #2: Pentafluorobenzoic acid In dichloromethane at 20℃; for 5h; | 97% |
Conditions | Yield |
---|---|
With sulfuric acid In tetrachloromethane Heating; | 96% |
With thionyl chloride at 20 - 50℃; for 21h; Reflux; Large scale; | 91% |
With sulfuric acid Reflux; | 75% |
Pentafluorobenzoic acid
Conditions | Yield |
---|---|
In toluene byproducts: H2O, CO2; N2 or air, 1:1 mixt. refluxed at 110°C for 6 h; dried (vac.); | 96% |
Pentafluorobenzoic acid
cobalt(II) acetate
Conditions | Yield |
---|---|
Stage #1: C72H94N4O8; cobalt(II) acetate In toluene at 20℃; for 5h; Schlenk technique; Inert atmosphere; Stage #2: Pentafluorobenzoic acid In dichloromethane at 20℃; for 5h; | 96% |
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