3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol supplier

Name
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol
EINECS 211-477-1
CAS No. 647-42-7
Article Data31
CAS DataBase
Density 1.589 g/cm³
Solubility Insoluble in water
Melting Point
Formula C₈H₅F₁₃O
Boiling Point 174.1 °C at 760 mmHg
Molecular Weight 364.106
Flash Point 91.667 °C
Transport Information
Appearance Colorless liquid
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,1,2,2-Tetrahydroperfluorooctan-1-ol;1,1,2,2-Tetrahydroperfluorooctanol;1,1,2,2-Tetrahydrotridecafluorooctanol;1H,1H,2H,2H-Perfluoro-1-octanol;1H,1H,2H,2H-Perfluorooctan-1-ol;1H,1H,2H,2H-Perfluorooctanol;1H,1H,2H,2H-Tridecafluoro-n-octanol;1H,1H,2H,2H-Tridecafluorooctanol;2-(Perfluorohexyl)ethanol;2-(Perfluorohexyl)ethyl alcohol;2-(Tridecafluorohexyl)ethanol;1-Octanol,3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-;A 1620;Fluowet EA 600;Foralkyl EOH 6;Perfluorohexylethanol;
PSA 20.23000
LogP 4.10760

Synthetic route

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

Conditions

Conditions	Yield
With hydrogenchloride; formic acid; oxygen; copper; zinc In water at 80℃; for 2h; Product distribution; various solvents, water concentration;	100%
With water In N,N-dimethyl-formamide at 125 - 130℃; under 2625.26 Torr; for 32h; Large scale; Green chemistry;	88%
Yield given. Multistep reaction;

: 1262446-12-7
potassium 8,8,8,7,7,6,6,5,5,4,4,3,3-tridecafluorooctyl sulfate

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; water at 20℃; for 0.166667h;	96%

: C24H12BF39

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium hydroxide In water at 45℃; for 2h; Temperature;	91%

: 155939-24-5
3,4-Dihydro-5-<(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro)octyloxy>-2H-pyrrole

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

Conditions

Conditions	Yield
With 2-pyrrolidinon at 140℃; for 3h;	A 90% B 1%

: 830330-61-5
3-(2-fluoro-phenyl)-3-hydroxy-propionic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 91319-56-1
3-hydroxy-3-(2'-fluorophenyl)propanol

Conditions

Conditions	Yield
With lithium triethylborohydride In tetrahydrofuran at 20℃; for 2h;	A n/a B 88%

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 1741-03-3
(C6F13C2H4O)2SO2

Conditions

Conditions	Yield
Stage #1: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane With sulfuric acid; sulfur trioxide In water at 30℃; for 1.66h; Stage #2: With sodium sulfite; water at 0 - 80℃; for 2h; Product distribution / selectivity;	A 82.3% B n/a
Stage #1: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane With sulfuric acid; sulfur trioxide at 20℃; for 1.66h; Stage #2: With sodium sulfite; water at 20 - 80℃; for 2h; Product distribution / selectivity;	A 81.1% B n/a

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

: 1741-03-3
(C6F13C2H4O)2SO2

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

Conditions

Conditions	Yield
Stage #1: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane; (C6F13C2H4O)2SO2 With sulfuric acid; sulfur trioxide at 20 - 80℃; for 1.66h; Stage #2: With sodium sulfite; water at 20 - 80℃; for 2h; Product distribution / selectivity;	75.9%

: 1741-03-3
(C6F13C2H4O)2SO2

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

Conditions

Conditions	Yield
Stage #1: (C6F13C2H4O)2SO2 With sulfuric acid; sulfur trioxide at 20 - 80℃; for 1.33h; Stage #2: With water at 20 - 80℃; for 1.5 - 2h; Product distribution / selectivity;	70.3%

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 51066-74-1
dimethylamine hydriodide

C: 2-(F-hexyl)ethyl formate

Conditions

Conditions	Yield
With water Product distribution;	A 33% B n/a C 66%

...Expand

: 830330-63-7
3-hydroxy-3-phenyl-propionic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester

A: 4850-49-1
1-phenyl-1,3-propanediol

B: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

Conditions

Conditions	Yield
With lithium triethylborohydride In tetrahydrofuran at 20℃; for 2h;	A 61% B n/a

: 830330-65-9
3-hydroxy-3-o-tolyl-propionic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 3-hydroxy-3-(2'-methylphenyl)propanol

Conditions

Conditions	Yield
With lithium triethylborohydride In tetrahydrofuran at 20℃; for 2h;	A n/a B 55%

: 4938-92-5
N-(2-formylaminoethyl)formamide

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 2-(F-hexyl)ethyl formate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 150℃; for 24h;	A 31.4% B 16.7% C 51%
In N,N-dimethyl-formamide at 150℃; for 24h;	A 31.4% B 16.7% C 51%

...Expand

: 675-20-7
piperidin-2-one

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 1-(3,4,5,6-Tetrahydropyridin-2-yl)-2-piperidinone hydroiodide salt

Conditions

Conditions	Yield
at 140℃; for 7.25h; Yields of byproduct given;	A n/a B n/a C 18.3%

...Expand

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 4-(1,2,2,3,3,4,4,5,5,6,6,6-dodecafluorohexyl)-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-1,2,3-triazole

Conditions

Conditions	Yield
With sodium azide In N,N-dimethyl-formamide for 12h; Reflux;	A n/a B 15%

: 123-39-7
N-Methylformamide

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

Conditions

Conditions	Yield
With sodium hydroxide; water 1.) 140 degC, 6 h; 2.)62-85 degC, 22 h; Yield given. Multistep reaction;

: 123-39-7
N-Methylformamide

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 2-(F-hexyl)ethyl formate

D: N,N'-dimethylmethanimidamide

Conditions

Conditions	Yield
at 140℃; for 1h; Product distribution; Rate constant; var. temp., time, substrate (DMF) investigated;

...Expand

: 123-39-7
N-Methylformamide

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 2-(F-hexyl)ethyl formate

Conditions

Conditions	Yield
Yield given. Yields of byproduct given;

...Expand

: 16741-46-1
N-isopropylformamide

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 2-(F-hexyl)ethyl formate

D: N,N'-bis(2-propenyl)methanimidamide

Conditions

Conditions	Yield
With water at 140℃; for 1h; Product distribution; Rate constant; var. temp., time, substrate (DMF, 1,2-ethanyl-bis-formamide) investigated;

...Expand

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 30℃; Product distribution; variation of condition; also with NaOMe;
With radical initiator; water In N,N-dimethyl-formamide Heating;
With water; lithium chloride In N,N-dimethyl-formamide for 69h; electrolysis at carbon fibre cathode;	A 68 % Spectr. B 32 % Spectr.

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: formamidinium hydroiodide

D: 2-(F-hexyl)ethyl formate

Conditions

Conditions	Yield
With water; formamide at 150℃; for 6h;	A 5.2 % Chromat. B 1.4 % Chromat. C n/a D 7.2 % Chromat.
With water; formamide at 140℃; for 4.5h;	A 3.9 % Chromat. B 3.9 % Chromat. C n/a D 10.0 % Chromat.

...Expand

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 80793-17-5
(perfluoro-n-hexyl)ethane

Conditions

Conditions	Yield
With water; lithium chloride In N,N-dimethyl-formamide Product distribution; effect of quantity of water and current on electroreduction;	A 80 % Spectr. B 5 % Spectr. C 15 % Spectr.

...Expand

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 2-(F-hexyl)ethyl formate

Conditions

Conditions	Yield
With N-Methylformamide Yield given. Yields of byproduct given;

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: formamidinium hydroiodide

D: 2-(F-hexyl)ethyl formate

Conditions

Conditions	Yield
With water at 140℃; for 4.5h;	A 3.9 % Chromat. B 3.9 % Chromat. C n/a D 10.0 % Chromat.

...Expand

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: formamidinium hydroiodide

D: 2-(F-hexyl)ethyl formate

Conditions

Conditions	Yield
With 2-(F-hexyl)-1-iodoethane; water at 140℃; for 4.5h;	A 3.9 % Chromat. B 3.9 % Chromat. C n/a D 10.0 % Chromat.

...Expand

: 78522-69-7
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl trifluoromethanesulfonate

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 78522-74-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyloxy)-octane

Conditions

Conditions	Yield
With solution aqueuse de soude 10 N for 0.25h; Heating;	A 33 % Spectr. B 31 % Spectr. C 35 % Spectr.

...Expand

: 616-45-5
2-pyrrolidinon

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 1-(1-Pyrrolin-2-yl)-2-pyrrolidinone hydroiodide

D: O-<2-(perfluorohexyl)ethyl>butyrolactim hydroiodide

Conditions

Conditions	Yield
at 140℃; for 1h; Product distribution; Mechanism; Rate constant; other times, temperatures; also with ε-caprolactam;

...Expand

: 616-45-5
2-pyrrolidinon

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 7060-52-8
1-(1-pyrrolidin-2-yl)-2-pyrrolidone

Conditions

Conditions	Yield
With potassium carbonate 1.) 140 deg C, 6.00 h, 2.) EtOH, CHCl3, 68 deg C, 5 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 616-45-5
2-pyrrolidinon

: 155939-24-5
3,4-Dihydro-5-<(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro)octyloxy>-2H-pyrrole

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 7060-52-8
1-(1-pyrrolidin-2-yl)-2-pyrrolidone

Conditions

Conditions	Yield
In toluene at 140℃; Rate constant; also without solvent at other temperatures;

...Expand

: 616-45-5
2-pyrrolidinon

: 155939-25-6
3,4,5,6-Tetrahydro-7-<2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro)octyloxy>-2H-azepine

A: 105-60-2
caprolactam

B: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

C: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

D: 90683-34-4
1-(4,5,6,7-tetrahydro-3H-azepin-2-yl)-2-pyrrolidinone

Conditions

Conditions	Yield
In toluene at 140℃; for 24h; Yields of byproduct given. Title compound not separated from byproducts;	A n/a B n/a C n/a D 47.4 % Chromat.
In toluene at 140℃; Rate constant;

...Expand

: 675-20-7
piperidin-2-one

: 2043-57-4
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane

A: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

B: 25291-17-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

C: 1-(3,4,5,6-Tetrahydropyridin-2-yl)-2-piperidinone hydroiodide salt

D: 6-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octyloxy)-2,3,4,5-tetrahydro-pyridine; hydriodide

Conditions

Conditions	Yield
at 140℃; for 1h; Rate constant; Mechanism; other times; also with ε-caprolactam;

...Expand

: 75-44-5
phosgene

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 181302-91-0
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl chloroformate

Conditions

Conditions	Yield
In diethyl ether for 24h; Heating;	100%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 135-19-3
β-naphthol

: 2-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxy]naphthalene

Conditions

Conditions	Yield
With bismuth(lll) trifluoromethanesulfonate In 1,2-dichloro-ethane at 80℃; for 24h; Inert atmosphere; Schlenk technique; chemoselective reaction;	100%

: 764-99-8
diethylene glycol divinyl ether

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 1,1,2,2 tetrahydroperfluoro octanylvinyl ether

Conditions

Conditions	Yield
With 1,10-Phenanthroline; palladium diacetate at 45℃; for 96h; Time; Temperature;	98.2%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 53826-12-3
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid

Conditions

Conditions	Yield
With chromium(VI) oxide; sulfuric acid In diethyl ether; acetone for 0.0833333h;	98%
Stage #1: 1H,1H,2H,2H-tridecafluoro-n-octanol With Jones reagent In acetone Stage #2: With isopropyl alcohol In acetone	84%
With chromium(VI) oxide; sulfuric acid In diethyl ether; water; acetone for 0.5h; Jones oxidation;	76%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 22959-55-3
β,β,β-trichloroethoxysulfonyl isocyanate

: 2-Perfluorohexylethyl-N-(2,2,2-trichloroethoxysulfonyl)carbamate

Conditions

Conditions	Yield
at 20℃; for 0.0166667h; Addition;	98%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 73748-48-8
<(4-nitrophenyl)oxy>sulfonyl isocyanate

: 2-Perfluorohexylethyl-N-(4-nitrophenoxysulfonyl)carbamate

Conditions

Conditions	Yield
at 20℃; for 0.0166667h; Addition;	98%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 99-96-7
4-hydroxy-benzoic acid

: 255041-11-3
C15H9F13O3

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 140℃; for 6h;	98%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 292638-85-8
acrylic acid methyl ester

: 17527-29-6
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-propenoate

Conditions

Conditions	Yield
With C32H16F52O4Ti; hydroquinone In toluene at 80℃; for 3.5h; Reagent/catalyst; Large scale;	97.2%
With titanium(III) sulphate; hydroquinone In cyclohexane at 120℃; for 8h; Reagent/catalyst;

: 74-96-4
ethyl bromide

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 210896-77-8
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-oxaundecane

Conditions

Conditions	Yield
With potassium hydroxide In 1-methyl-pyrrolidin-2-one; water at 50 - 70℃; for 7h;	97%

: 108-30-5
succinic acid anhydride

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 125111-32-2
1H,2H,2H-perfluoro-1-octyl succinic acid monoester

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 100℃; for 2h;	97%
With triethylamine In tetrahydrofuran at 100℃; for 1h;	94%
In tetrahydrofuran at 100℃; for 1h;	94%
With triethylamine; N-ethyl-N,N-diisopropylamine
With pyridine In 1,2-dimethoxyethane at 65 - 75℃; for 36h; Inert atmosphere;

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 134052-00-9
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octyl phosphorodichloridate

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate In diethyl ether for 1h; Ambient temperature;	96%
With triethylamine; trichlorophosphate In diethyl ether at 0℃;

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 108-10-1
4-methyl-2-pentanone

: 1,3-dimethylbutyl{2-(perfluorohexyl)ethyl}ether

Conditions

Conditions	Yield
Pd-C In hydrogen	96%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 104-15-4
toluene-4-sulfonic acid

: 56-40-6
glycine

: 911217-61-3
glycine 2-perfluorohexylethyl ester p-toluenesulphonate

Conditions

Conditions	Yield
In toluene for 4h; Heating;	96%
In cyclohexane for 17h; Reflux;	78%

...Expand

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: Trimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyloxy)-silane

Conditions

Conditions	Yield
With saccharin sodium salt at 80 - 90℃; for 2h;	95.5%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 107-05-1
3-chloroprop-1-ene

: 103628-86-0
8-(allyloxyl)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide at 40℃; for 6h;	95%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate at 45℃; for 6h;	94%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate at 30℃; for 8h; Yield given;

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 14793-41-0
isocyanate de chloro-4 phenoxysulfonyle

: 2-Perfluorohexylethyl-N-(4-chlorophenoxysulfonyl)carbamate

Conditions

Conditions	Yield
at 20℃; for 0.0166667h; Addition;	95%

Dodecanal: Dodecanal

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 2-(perfluorohexyl)ethyl dodecyl ether

Conditions

Conditions	Yield
Pd-C In hydrogen	95%
With hydrogen; palladium on activated charcoal at 160℃; for 10h; atmospheric pressure;	92%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: O,O-bis(1H,1H,2H,2H-tridecafluoro-n-octyl)dithiophosphoric acid

Conditions

Conditions	Yield
With tetraphosphorus decasulfide In toluene for 12h; Heating;	95%

: 876-08-4
p-(chloromethyl)benzoyl chloride

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 1293408-03-3
C16H10ClF13O2

Conditions

Conditions	Yield
With triethylamine In acetone at 10 - 20℃; for 2h; Inert atmosphere;	95%
With triethylamine In acetone at 10 - 20℃; for 2h; Inert atmosphere;	95%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: C8H6F13O4P

Conditions

Conditions	Yield
With phosphorus pentoxide; phosphoric acid In water at 50 - 60℃; for 48h; Temperature;	94.7%

: 79-41-4
poly(methacrylic acid)

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 2144-53-8
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylpropenoate

Conditions

Conditions	Yield
With hydroquinone; toluene-4-sulfonic acid In toluene at 115℃; for 5h;	94%
With sulfuric acid; hydroquinone In benzene Heating;
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 98-59-9
p-toluenesulfonyl chloride

: 51740-38-6
toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	94%
With triethylamine In dichloromethane	92%
With triethylamine In dichloromethane at 0 - 20℃; Tosylation;	91%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 3-O-picoloyl-1,5-anhydro-2-deoxy-4,6-O-(p-methoxybenzylidene)-D-arabino-hex-1-enitol

: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octyl 2,3-dideoxy-4,6-O-(p-methoxybenzylidene)-β-D-erythro-hex-2-enopyranoside

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); triethylamine; 1,4-di(diphenylphosphino)-butane In dichloromethane at 60℃; for 48h; Inert atmosphere; Schlenk technique; stereoselective reaction;	94%

: 2525-16-8
O-methylcaprolactim

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 155939-25-6
3,4,5,6-Tetrahydro-7-<2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro)octyloxy>-2H-azepine

Conditions

Conditions	Yield
Heating;	93.4%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 106-95-6
allyl bromide

: 103628-86-0
8-(allyloxyl)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

Conditions

Conditions	Yield
With sodium hydroxide at 60℃; under 75.0075 Torr; for 1h; Temperature; Inert atmosphere; Large scale;	93%
With sodium hydroxide at 60 - 80℃; for 4h; Inert atmosphere;	88%
With sodium hydroxide at 60 - 80℃; for 4h; Inert atmosphere;	88%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 598-21-0
2-Bromoacetyl bromide

: 132711-05-8
Bromure d'acetate de 2-F-hexylethyle

Conditions

Conditions	Yield
In diethyl ether at 0 - 20℃; for 12h;	93%
In diethyl ether at 60℃; for 12h;	68%
at 60℃;

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: Nα-(tert-butyloxycarbonyl)-(R)-lysine tert-butyl ester

: C24H33F13N2O6

Conditions

Conditions	Yield
Stage #1: 1H,1H,2H,2H-tridecafluoro-n-octanol With pyridine; di(succinimido) carbonate In N,N-dimethyl-formamide at 40℃; for 15h; Stage #2: Nα-(tert-butyloxycarbonyl)-(R)-lysine tert-butyl ester In N,N-dimethyl-formamide at 20 - 30℃;	93%

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

: 108-10-1
4-methyl-2-pentanone

: 1H,1H,2H,2H-perfluorooctyl 1,3-dimethylbutyl ether

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal at 105℃; for 8h;	92%
With hydrogen; palladium on activated charcoal at 105℃; for 8h; atmospheric pressure;	92%

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol Specification

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol is an organic compound with the formula C₈H₅F₁₃O, and its systematic name is the same with the product name. With the CAS registry number 647-42-7, it is also named as 1H,1H,2H,2H-Perfluorooctan-1-ol. It belongs to the product categories of Organics; Organofluorine compounds. Its EINECS number is 211-477-1. In addition, the molecular weight is 364.11. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.

Physical properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol are:
(1)ACD/LogP: 4.076; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.08; (4)ACD/LogD (pH 7.4): 4.08; (5)ACD/BCF (pH 5.5): 737.21; (6)ACD/BCF (pH 7.4): 737.21; (7)ACD/KOC (pH 5.5): 3928.48; (8)ACD/KOC (pH 7.4): 3928.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.298; (14)Molar Refractivity: 42.57 cm³; (15)Molar Volume: 229.205 cm³; (16)Polarizability: 16.876×10^-24cm³; (17)Surface Tension: 16.4 dyne/cm; (18)Density: 1.589 g/cm³; (19)Flash Point: 91.667 °C; (20)Enthalpy of Vaporization: 47.786 kJ/mol; (21)Boiling Point: 174.1 °C at 760 mmHg; (22)Vapour Pressure: 0.38 mmHg at 25°C.

Preparation of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol:
The 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol can be prepared by 7H,7H,8H,8H,8H-tridecafluoro-8-iodo-octane at the temperature of 80 °C. This reaction will need reagents Zn/Cu, O₂, formic acid - sodium formate, 20% HCl and solvents various solvent(s), H₂O with the reaction time of 2 hours. The yield is about 100%.

Uses of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol:
it can be used to produce 2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyloxy)-ethanol at the temperature of 60 °C. It will need reagent triethylamine and solvent bis-(2-methoxy-ethyl) ether with the reaction time of 12 hours. The yield is about 76%

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)Std. InChI: InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
(3)Std. InChIKey: GRJRKPMIRMSBNK-UHFFFAOYSA-N

Product Name

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol

Synthetic route

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol Specification

Related Products

Hot Products