Conditions | Yield |
---|---|
With potassium fluoride; B(2,2-bis(hydroxymethyl)propionate(3-)) In 1-methyl-pyrrolidin-2-one at 180℃; for 3h; Inert atmosphere; | 84% |
With potassium fluoride at 480℃; for 2h; Product distribution; various temperature, reactant volume, F(1-) ion concentration and contact time; |
Conditions | Yield |
---|---|
In neat (no solvent) molar ratio C5Cl5N/KF = 1/20.0, 500 °C, 18 h;; | 83% |
In neat (no solvent) molar ratio C5Cl5N/KF = 1/20.0, 500 °C, 18 h;; | 83% |
In neat (no solvent) weight-ratio KF/C5Cl5N = 8/3, 450 °C, 24 h;; | 68.5% |
4-N,N-dichloroamino-2,3,5,6-tetrafluoropyridine
A
trifluoro-[1,3,5]triazine
B
4-chloro-2,3,5,6-tetrafluoropyridine
C
Pentafluoropyridine
D
trichlorofluoromethane
E
2-chloro-3,3-difluoro-acrylonitrile
F
tetrafluoropyrazine
Conditions | Yield |
---|---|
at 550℃; under 2 Torr; Mechanism; vacuum pyrolysis, other fluoropyridine compounds; | A n/a B 75% C n/a D n/a E n/a F n/a |
2,3,4,5,6-pentachloropyridine
A
Pentafluoropyridine
B
3-chloro-2,4,5,6-tetrafluoropyridine
C
3,5-dichloro-2,4,6-trifluoropyridine
Conditions | Yield |
---|---|
In neat (no solvent) autoclave, 470 °C (12 h), 2-fold molar excess of KF;; | A 65% B 18% C 5% |
In neat (no solvent) autoclave, 470 °C (12 h), 2-fold molar excess of KF;; | A 65% B 18% C 5% |
In neat (no solvent) 450 °C, excess of KF;; | A 40% B n/a C n/a |
3,5-dichloro-2,4,6-trifluoropyridine
A
Pentafluoropyridine
B
3-chloro-2,4,5,6-tetrafluoropyridine
Conditions | Yield |
---|---|
With potassium fluoride; tetraphenylphosphonium bromide In sulfolane at 200℃; for 7h; Fluorination; | A 21% B 61% |
With potassium fluoride In sulfolane; chlorobenzene at 215℃; for 22h; | |
With potassium fluoride; tetraphenylphosphonium bromide In sulfolane; chlorobenzene at 215℃; for 22h; |
Conditions | Yield |
---|---|
In sulfolane 223-227 °C (10 h);; | A 21% B 50% |
In sulfolane 223-227 °C (10 h);; | A 21% B 50% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
2,3,4,5-tetrafluoropyridine
C
Pentafluoropyridine
D
N,N-Bis(trifluoromethyl)amine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 395 - 405℃; for 0.5h; Further byproducts given; | A 32.9% B 3.9% C 39.9% D 8.5% |
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Further byproducts given; | A 35.3% B 5.3% C 13.6% D 8.2% |
piperidine
2,3,4,5,6-pentachloropyridine
A
Pentafluoropyridine
B
3-chloro-2,4,5,6-tetrafluoropyridine
C
3,5-dichloro-2,4,6-trifluoropyridine
D
2,3,5,6-tetrachloro-4-fluoropyridine
Conditions | Yield |
---|---|
With cesium fluoride In N,N-dimethyl-formamide at 80℃; for 9h; Product distribution; other reagents; | A 2% B 4% C 9% D 39% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
2,3-difluoropyridine
C
Pentafluoropyridine
D
N,N-Bis(trifluoromethyl)amine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Further byproducts given; | A 35.3% B 2.2% C 13.6% D 8.2% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
2,3,6-trifluoropyridine
C
2,3,4,5-tetrafluoropyridine
D
Pentafluoropyridine
E
N,N-Bis(trifluoromethyl)amine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Product distribution; other reactor geometry, temperature, time; | A 35.3% B 3.2% C 5.3% D 13.6% E 8.2% F 2.7% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
2,3,6-trifluoropyridine
C
Pentafluoropyridine
D
N,N-Bis(trifluoromethyl)amine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Further byproducts given; | A 35.3% B 3.2% C 13.6% D 8.2% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
2,6-difluoro pyridine
C
Pentafluoropyridine
D
N,N-Bis(trifluoromethyl)amine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Further byproducts given; | A 35.3% B 1.6% C 13.6% D 8.2% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
Pentafluoropyridine
C
N,N-Bis(trifluoromethyl)amine
D
2,3,4-trifluoropyridine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Further byproducts given; | A 35.3% B 13.6% C 8.2% D 2.3% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
Pentafluoropyridine
C
N,N-Bis(trifluoromethyl)amine
D
2,5-difluoropyridine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Further byproducts given; | A 35.3% B 13.6% C 8.2% D 2.1% |
pyridine
A
perfluoro-N-ethylpyrrolidine
B
Pentafluoropyridine
C
N,N-Bis(trifluoromethyl)amine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) In gaseous matrix at 310℃; for 3.5h; Further byproducts given; | A 35.3% B 13.6% C 8.2% D 2.7% |
Conditions | Yield |
---|---|
In neat (no solvent) Defluorination with oxide-free Fe at 580-610 °C/ > 1 Torr (dwell time 17 s);; | 26% |
In neat (no solvent) Defluorination with oxide-free Fe at 580-610 °C/ > 1 Torr (dwell time 17 s);; | 26% |
In neat (no solvent) Defluorination with oxide-free Fe at 580-610 °C/ > 1 Torr (dwell time 1 s).; | > 20 |
In neat (no solvent) Defluorination with oxide-free Fe at 580-610 °C/ > 1 Torr (dwell time 1 s).; | > 20 |
Conditions | Yield |
---|---|
With steel wool In neat (no solvent) 550 °C (40 min), steel tube filled with steel wool;; | 19% |
With steel wool In neat (no solvent) 550 °C (40 min), steel tube filled with steel wool;; | 19% |
With steel wool In neat (no solvent) 600 °C (95 min), steel tube filled with steel wool;; | 18% |
Conditions | Yield |
---|---|
In gaseous matrix Defluorination in N2 atmosphere (flow rate 4l/h) at 560 °C/760 Torr.; | 12% |
Conditions | Yield |
---|---|
With KF-KCl melt In neat (no solvent) Inlet of the formed C5F3Cl2N (3g/10 min) at 645 °C into the KF-KCl melt (carrier gas = Ar, flow rate 70 ml/min), yields of C5FnCl5-nN (n= 1 to 5) are indicated for the fluorination of the temperature range 630 - 740 °C;; | A 7% B n/a C n/a D n/a |
With KF-KCl melt In neat (no solvent) Inlet of the formed C5F3Cl2N (3g/10 min) at 645 °C into the KF-KCl melt (carrier gas = Ar, flow rate 70 ml/min), yields of C5FnCl5-nN (n= 1 to 5) are indicated for the fluorination of the temperature range 630 - 740 °C;; | A 7% B n/a C n/a D n/a |
α-picoline
A
Pentafluoropyridine
B
N,N-Bis(trifluoromethyl)amine
C
1-pentafluoroethyl-octafluoropyrrolidine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) at 270℃; Further byproducts given; | A 1.9 g B 8.8 g C 1.7 g D 2% |
Conditions | Yield |
---|---|
With KF-KCl melt In neat (no solvent) Fluorination at 740 .degree C., yields of C5FnCl5-nN (n= 1 to 5) are indicated for the fluorination of the temperature range 630 - 740 °C;; | A 0.5% B n/a C n/a D n/a E n/a |
With KF-KCl melt In neat (no solvent) Fluorination at 720 .degree C., yields of C5FnCl5-nN (n= 1 to 5) are indicated for the fluorination of the temperature range 630 - 740 °C;; | A 0.1% B n/a C n/a D n/a E n/a |
With KF-KCl melt In neat (no solvent) Fluorination at 720 .degree C., yields of C5FnCl5-nN (n= 1 to 5) are indicated for the fluorination of the temperature range 630 - 740 °C;; | A 0.1% B n/a C n/a D n/a E n/a |
With KF-KCl melt In neat (no solvent) Fluorination at 740 .degree C., yields of C5FnCl5-nN (n= 1 to 5) are indicated for the fluorination of the temperature range 630 - 740 °C;; | A 0.5% B n/a C n/a D n/a E n/a |
pyridine
A
Pentafluoropyridine
B
4H,5H-heptafluoro-2-azahex-2(Z),4(E)-diene
C
5H-decafluoro-2-azahex-2(Z)-ene
D
undecafluoro-2-azahex-2(Z)-ene
Conditions | Yield |
---|---|
With potassium tetrafluorocobaltate In gaseous matrix at 215 - 225℃; 1.) 3.5-4 h; 2.) 2 h; Further byproducts given; |
α-picoline
A
perfluoro-N-ethylpyrrolidine
B
2,3,4,5-tetrafluoro-6-(trifluoromethylpyridine)
C
Pentafluoropyridine
D
N,N-Bis(trifluoromethyl)amine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) at 270℃; Further byproducts given. Title compound not separated from byproducts; | A n/a B 1.4 g C 1.9 g D 8.8 g |
α-picoline
A
2,3,4,5-tetrafluoro-6-(trifluoromethylpyridine)
B
Pentafluoropyridine
Conditions | Yield |
---|---|
iron 1.) fluorination 2.) defluorination, 525 deg C; Yield given. Yields of byproduct given; | |
iron 1.) fluorination, 2.) defluorination, 525 deg C; Yield given. Yields of byproduct given; |
α-picoline
A
2,3,4,5-tetrafluoro-6-(trifluoromethylpyridine)
B
Pentafluoropyridine
C
N,N-Bis(trifluoromethyl)amine
D
1-pentafluoroethyl-octafluoropyrrolidine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) at 270℃; Further byproducts given; | A 1.4 g B 1.9 g C 8.8 g D 1.7 g |
α-picoline
A
Pentafluoropyridine
B
N,N-Bis(trifluoromethyl)amine
C
1-pentafluoroethyl-octafluoropyrrolidine
Conditions | Yield |
---|---|
With caesium tetrafluorocobaltate(III) at 270℃; Further byproducts given; | A 1.9 g B 8.8 g C 1.7 g D 0.72 g |
Conditions | Yield |
---|---|
1) 0 deg C, 2) CH3CN; Multistep reaction; |
1-fluoromethyl-octafluoropyrrolidine
A
2,3,4,5-tetrafluoropyridine
B
Pentafluoropyridine
Conditions | Yield |
---|---|
iron at 520℃; Yield given. Yields of byproduct given; |
1-difluormethyl-octafluoropyrrolidine
Pentafluoropyridine
Conditions | Yield |
---|---|
iron at 520℃; Yield given; |
iodotrifluoromethane
A
Pentafluoropyridine
C
trifluoro-iodo-methane radical anion
Conditions | Yield |
---|---|
In gas at 36.9℃; Rate constant; |
Pentafluoropyridine
2,3,4,5,6-pentafluorophenol
4-pentafluorophenoxy-2,3,5,6-tetrafluoropyridine
Conditions | Yield |
---|---|
With potassium fluoride; 18-crown-6 ether In acetonitrile at 80℃; for 1h; ratio of pentafluoropyridine and pentafluorophenol 1:0.1; | 100% |
With cesium fluoride In N,N-dimethyl-formamide at 80℃; for 1h; Product distribution; other reagents, time; | 95% |
Conditions | Yield |
---|---|
With [(bis(diisopropylphosphino)ethane)Ni(H)]2; triethylphosphine In 1,4-dioxane at 120℃; for 72h; | 100% |
With (1,3-dimethylimidazolin-2-ylidene)*AlH3 In benzene-d6 at 20℃; for 0.0833333h; Reagent/catalyst; | 99% |
With bis(cyclopentadienyl)dihydrozirconium; [{((2,6-dimethylphenyl)NC(methyl))2CH}AlH2] at 25℃; for 24h; Reagent/catalyst; Temperature; Inert atmosphere; | 93% |
Pentafluoropyridine
ethyl vanillate
4-(2,3,5,6-tetrafluoropyridin-4-yl)oxy-3-methoxybenzoic acid, ethyl ester
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile for 12h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0℃; regioselective reaction; | 100% |
Conditions | Yield |
---|---|
In (2)H8-toluene at -30.16℃; for 3h; Reagent/catalyst; Schlenk technique; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
In benzene-d6 for 0.0833333h; Inert atmosphere; | 100% |
Pentafluoropyridine
meso-1,2-diphenyl-1,2-diaminoethane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran for 24h; Inert atmosphere; Reflux; regioselective reaction; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 20h; | 100% |
Conditions | Yield |
---|---|
With water In aq. phosphate buffer at 25℃; for 7.5h; pH=2.7 - 3.2; Electrochemical reaction; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere; regioselective reaction; | 99.5% |
Stage #1: phenol With cholin hydroxide In water at 20℃; for 0.25h; Stage #2: Pentafluoropyridine In water at 20℃; for 24h; | 86% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; |
Conditions | Yield |
---|---|
With hydrogen; potassium carbonate at 200℃; under 15001.5 Torr; for 2h; Autoclave; | 99.2% |
Conditions | Yield |
---|---|
With nickel dichloride at 150℃; for 0.5h; | 99% |
Pentafluoropyridine
4-tetrafluoropyridine
Conditions | Yield |
---|---|
In diethyl ether at 20℃; for 72h; | 99% |
morpholine
Pentafluoropyridine
4-(2,3,5,6-tetrafluoropyridin-4-yl)morpholine
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at -7 - 20℃; Inert atmosphere; regioselective reaction; | 99% |
With triethylamine In tetrahydrofuran at 20℃; Inert atmosphere; regioselective reaction; | 99% |
In ethanol at 0℃; for 168h; | 87% |
Pentafluoropyridine
α-naphthol
2,3,5,6-Tetrafluoro-4-(naphthalen-1-yloxy)pyridine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; |
4-morpholinopyridine
Pentafluoropyridine
2',3',5',6'-tetrafluoro-4-(morpholin-4-yl)-[1,4]bipyridinyl-1-ylium fluoride
Conditions | Yield |
---|---|
In ethyl acetate at 20℃; for 6h; | 99% |
Pentafluoropyridine
(2,4,6-triisopropylphenyl)ethynyl piperidine-1-carbodithioate
Conditions | Yield |
---|---|
In 1,4-dioxane at 20℃; for 18h; Solvent; Inert atmosphere; | 99% |
Pentafluoropyridine
N,N`-dimethylethylenediamine
N,N’-dimethyl-N,N’-bis(2,3,5,6-tetrafluoropyridin-4-yl)-ethane-1,2-diamine
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at -7 - 20℃; Inert atmosphere; regioselective reaction; | 99% |
With triethylamine In tetrahydrofuran Inert atmosphere; Reflux; regioselective reaction; | 99% |
Pentafluoropyridine
(1R,2R)-1,2-diaminocyclohexane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran for 24h; Inert atmosphere; Reflux; regioselective reaction; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 16h; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 16h; | 99% |
1,2,3-Benzotriazole
Pentafluoropyridine
1-(tetrafluoro-4'-pyridyl)-benzotriazol-1,2,3=1-(Tetrafluor-4'-pyridyl)-benzotriazol-1,2,3
Conditions | Yield |
---|---|
With copper 2-phenylcyclopropanecarboxylate; cetyltrimethylammonim bromide; potassium carbonate In toluene for 6h; Arylation; Heating; | 98% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 0.5h; Arylation; | 98% |
With triethylamine In tetrahydrofuran at 20℃; for 1h; Amination; | 98% |
In ethanol at 0℃; for 0.0833333h; | 84% |
Pentafluoropyridine
4-methoxy-phenol
2,3,5,6-tetrafluoro-4-(4-methoxyphenoxy)pyridine
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 16h; | 98% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; |
Pentafluoropyridine
β-naphthol
2,3,5,6-tetrafluoro-4-[(naphthalen-2-yl)oxy]pyridine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; | 98% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; |
Pentafluoropyridine
4-isocyano-1,1’-biphenyl
Conditions | Yield |
---|---|
In benzene at 35℃; Inert atmosphere; UV-irradiation; regioselective reaction; | 98% |
Pentafluoropyridine
(S,S)-1,2-diphenyl-1,2-diaminoethane
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran for 24h; Inert atmosphere; Reflux; regioselective reaction; | 98% |
cycl-isopropylidene malonate
Pentafluoropyridine
N-ethyl-N,N-diisopropylamine
Conditions | Yield |
---|---|
In acetonitrile at 45℃; for 0.5h; | 98% |
4-nitro-phenol
Pentafluoropyridine
4-(4'-Nitrophenoxy)-2,3,5,6-tetrafluoropyridine
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 16h; | 97% |
With potassium fluoride; 18-crown-6 ether In sulfolane at 80℃; for 1h; | 84% |
pyrographite; cesium fluoride In N,N-dimethyl-formamide at 80℃; for 5h; | 97 % Chromat. |
Conditions | Yield |
---|---|
Stage #1: benzyl alcohol With sodium hydride In tetrahydrofuran at 20℃; for 0.25h; Metallation; Stage #2: Pentafluoropyridine In tetrahydrofuran Etherification; | 97% |
Molecular structure of Pentafluoropyridine (CAS NO.700-16-3):
MF: C5F5N
MW: 169.052216 g/mol
EINECS: 211-839-9
Melting Point: -42
Density: 1.63 g/cm3
Flash Point: 23.9 °C
Enthalpy of Vaporization: 32.54 kJ/mol
Boiling Point: 100.1 °C at 760 mmHg
Vapour Pressure: 42.8 mmHg at 25°C
IUPAC Name: 2,3,4,5,6-pentafluoropyridine
Chemical Properties of Pentafluoropyridine (CAS NO.700-16-3): Clear colourless loquid
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines ; Pyridine ; Fluoropyridines ; Halopyridines ; C5 ; Heterocyclic Building Blocks ; Pyridines
Safety Information of Pentafluoropyridine (700-16-3):
Hazard Codes Xn,F,Xi
Xn: Harmful Xi: Irritant C: Corrosive
Risk Statements: 10-20/21/22-36/37/38
10: Flammable
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-28-24/25-16
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
16: Keep away from sources of ignition - No smoking
RIDADR UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Flammable/Irritant
HazardClass: 3
PackingGroup: III
Pentafluoropyridine , its CAS NO. is 700-16-3, the synonyms are 2,3,4,5,6- Pentafluoropyridine ; Pentafluoropyridine ; Perfluoropyridine ; Pentafluoropyridine, 99+% ; Pentafluoropyridine 99% ; 5-Chloro-2-caynopyridine .
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