Bromotrifluoromethane
bis(4-hydroxyphenyl)disulfide
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With disodium hydrogenphosphate; rongalite In water; N,N-dimethyl-formamide at 20℃; under 9000.9 Torr; for 2.5h; | 86% |
Conditions | Yield |
---|---|
Stage #1: N,4-dimethyl-N-[(trifluoromethyl)-sulfanyl]benzene-1-sulfonamide; phenol In 1,2-dichloro-ethane at 20℃; for 0.0166667h; Sealed tube; Stage #2: With trifluorormethanesulfonic acid In 1,2-dichloro-ethane at 80℃; for 18h; Sealed tube; | 82% |
With trifluorormethanesulfonic acid In 1,2-dichloro-ethane at 80℃; for 18h; Sealed tube; | 82% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; bis(4-methoxyphenyl)selenide In chloroform at 20℃; for 0.5h; Reagent/catalyst; | 81% |
With trifluorormethanesulfonic acid In dichloromethane at 60℃; for 8h; Schlenk technique; | 75% |
With methanesulfonic acid In dichloromethane at 60℃; for 8h; Reagent/catalyst; Solvent; Temperature; Green chemistry; | 75% |
N-[(trifluoromethyl)sulfanyl]aniline
phenol
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In dichloromethane at 20℃; Reagent/catalyst; regioselective reaction; | 77% |
thioorthocarbonotrifluoridic acid 4-amino-phenyl ester
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With uranyl acetate monohydrate; water; trifluoroacetic acid for 60h; Irradiation; Inert atmosphere; | 73% |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; silver nitrate In water; acetonitrile at 80℃; for 24h; Inert atmosphere; | 72% |
With tetrabutylammonium tetrafluoroborate; sodium bromide In acetonitrile at 20℃; for 10h; Electrolysis; Inert atmosphere; | 16% |
1-methyl-4-{[(trifluoromethyl)sulfanyl]sulfonyl}benzene
4-amino-phenol
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
Stage #1: 4-amino-phenol With tetrafluoroboric acid In water Stage #2: With sodium nitrite In water at 0 - 25℃; for 0.5h; Stage #3: 1-methyl-4-{[(trifluoromethyl)sulfanyl]sulfonyl}benzene With dichlorotris( 1,10-phenanthroline)ruthenium(II) hydrate In dimethyl sulfoxide at 25℃; for 16h; Irradiation; Inert atmosphere; | 53% |
(4-(allyloxy)phenyl)(trifluoromethyl)sulfane
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
Stage #1: (4-(allyloxy)phenyl)(trifluoromethyl)sulfane With C12H37NiP4(1+)*C2F6NO4S2(1-) In tetrahydrofuran at 20℃; for 0.5h; Glovebox; Schlenk technique; Inert atmosphere; Stage #2: With toluene-4-sulfonic acid In tetrahydrofuran for 15h; Glovebox; Schlenk technique; Reflux; Inert atmosphere; | 34% |
4-thiocyanato-phenol
potassium trifluoroacetate
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With iron(II) chloride In N,N-dimethyl-formamide at 140℃; for 16h; Inert atmosphere; | 29% |
Conditions | Yield |
---|---|
In ammonia Irradiation; | |
With tris(2,2'-bipyridyl)ruthenium dichloride; triethylamine In acetonitrile at 20℃; for 1h; Time; Irradiation; |
Conditions | Yield |
---|---|
With pyridine | |
With pyridine In chloroform | |
With pyridine |
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With water |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aluminum (III) chloride / acetonitrile / 12 h / 25 °C / Inert atmosphere 2: caesium carbonate / acetonitrile / 12 h / 20 °C / Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: aluminum (III) chloride / acetonitrile / 60 °C / Inert atmosphere 2: iron(II) chloride / N,N-dimethyl-formamide / 16 h / 140 °C / Inert atmosphere View Scheme |
4-thiocyanato-phenol
(trifluoromethyl)trimethylsilane
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 20℃; for 12h; Inert atmosphere; | 163 mg |
(2,2'-bipyride-kN1,kN1')(1,1,1-trifluoromethanethiolato-kS)-copper
(p-hydroxyphenyl)boronic acid
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With oxygen In 1-methyl-pyrrolidin-2-one at 20℃; for 1h; | 92 %Spectr. |
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With diethylamine In acetonitrile Inert atmosphere; | 14.8 mg |
(4-trifluoromethylthio)phenol
1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate
4-(4-trifluoromethylsulfanyl-phenoxy)-piperidine-1-carboxylic Acid tert-butyl Ester
Conditions | Yield |
---|---|
With sodium hydroxide In diethyl ether; diethylene glycol dimethyl ether; ethyl acetate | 100% |
(4-trifluoromethylthio)phenol
1-chloro-2-methyl-4-nitrobenzene
Conditions | Yield |
---|---|
With potassium carbonate; dimethyl sulfoxide In toluene at 125 - 135℃; for 4h; Temperature; Large scale; | 98.1% |
With potassium carbonate In dimethyl sulfoxide; toluene at 125 - 135℃; for 4h; Temperature; Large scale; | 97.1% |
Stage #1: (4-trifluoromethylthio)phenol With potassium carbonate In dimethyl sulfoxide at 70℃; for 20h; Inert atmosphere; Stage #2: 1-chloro-2-methyl-4-nitrobenzene In dimethyl sulfoxide at 70℃; for 18h; Inert atmosphere; | 60% |
With potassium carbonate In dimethyl sulfoxide at 90 - 130℃; for 5h; | 155.9 g |
(4-trifluoromethylthio)phenol
methyl iodide
4-methoxyphenyl trifluoromethylsulfide
Conditions | Yield |
---|---|
With [bmim]BF4; potassium carbonate In water at 20℃; for 0.166667h; | 98% |
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With [bmim]BF4; trichloroisocyanuric acid; water at 20℃; for 0.0833333h; | 96% |
(4-trifluoromethylthio)phenol
2-chloro-4-(trifluoromethylsulfanyl)phenol
Conditions | Yield |
---|---|
With diisobutylamine; sulfuryl dichloride In toluene at 25℃; for 2h; | 95% |
With diisobutylamine; sulfuryl dichloride In toluene at 20℃; for 1h; | 78% |
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 80℃; | 95% |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20℃; for 0.333333h; | 94% |
With bromine; acetic acid |
(4-trifluoromethylthio)phenol
1-(6-bromopyridin-3-yl)propan-1-one
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 130℃; for 5h; Inert atmosphere; | 92% |
With potassium carbonate In N,N-dimethyl-formamide at 130℃; for 5h; Inert atmosphere; | 92% |
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With N-iodo-succinimide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20℃; for 0.333333h; | 90% |
(4-trifluoromethylthio)phenol
1-(4-(bromomethyl)phenyl)propan-1-one
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 3h; Inert atmosphere; | 90% |
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 10h; |
(4-trifluoromethylthio)phenol
4-chlorobenzonitrile
4-(4-nitrophenoxy)-(trifluoromethylthio)benzene
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 195℃; for 0.166667h; Microwave irradiation; | 87% |
Conditions | Yield |
---|---|
With ruthenium trichloride; sodium periodate In water; 1,2-dichloro-ethane; acetonitrile at 20℃; for 22h; Cooling with ice; | 85% |
With sodium tungstate (VI) dihydrate; dihydrogen peroxide at 70 - 80℃; for 7.5h; | 10.81 g |
With 2-Ethylhexanoic acid; sulfuric acid; dihydrogen peroxide at 10 - 70℃; for 8.5h; Reagent/catalyst; Temperature; | 19.1 g |
With sodium tungstate (VI) dihydrate; dihydrogen peroxide In water at 75℃; for 37h; Reagent/catalyst; | 45.1 g |
Stage #1: (4-trifluoromethylthio)phenol With sodium tungstate (VI) dihydrate; dihydrogen peroxide; acetic acid at 65℃; Stage #2: With sodium disulfite; water; sodium hydroxide pH=8; |
(4-trifluoromethylthio)phenol
3-nitrobenzene-1,2-dicarbonitrile
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 72h; Inert atmosphere; | 85% |
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 72h; Inert atmosphere; |
1-oxyl-4-carboxyl-2,2,6,6-tetramethylpiperidine
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 2-methyltetrahydrofuran at 0 - 20℃; Steglich Esterification; Inert atmosphere; | 84% |
N-methoxyethylpiperidine-4-fluorophenylsulfone ethyl ester
(4-trifluoromethylthio)phenol
C24H28F3NO6S2
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 24h; | 81% |
(4-trifluoromethylthio)phenol
toltrazuril
Conditions | Yield |
---|---|
With potassium phosphate; copper(l) iodide; N-(2-phenylphenyl)-N′-benzyl oxalamide In acetonitrile at 90℃; for 24h; Inert atmosphere; | 80.6% |
(4-trifluoromethylthio)phenol
tert-butyl 4-(4-((methylsulfonyloxy)methyl)cyclohexyl)piperazine-1-carboxylate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 90℃; | 79% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 23℃; for 16h; Inert atmosphere; | 73% |
(4-trifluoromethylthio)phenol
allyl bromide
(4-(allyloxy)phenyl)(trifluoromethyl)sulfane
Conditions | Yield |
---|---|
With potassium carbonate In acetone Reflux; | 70% |
With caesium carbonate In N,N-dimethyl-formamide at 50℃; for 2h; |
4'-Bromopropiophenone
(4-trifluoromethylthio)phenol
Conditions | Yield |
---|---|
With 2-Picolinic acid; potassium phosphate; copper(l) iodide In dimethyl sulfoxide at 110℃; for 10h; Inert atmosphere; | 67% |
(4-trifluoromethylthio)phenol
Diphenyliodonium triflate
1-phenoxy-4-[(trifluoromethyl)sulfanyl]benzene
Conditions | Yield |
---|---|
Stage #1: (4-trifluoromethylthio)phenol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; Stage #2: Diphenyliodonium triflate In tetrahydrofuran at 40℃; for 3h; Inert atmosphere; | 64% |
Conditions | Yield |
---|---|
With 2-Picolinic acid; potassium phosphate; copper(l) iodide In dimethyl sulfoxide at 110℃; for 10h; Inert atmosphere; | 64% |
(4-trifluoromethylthio)phenol
2,5-bis-methanesulfonyl-pyridine
Conditions | Yield |
---|---|
With potassium tert-butylate In tetrahydrofuran; water; dimethyl sulfoxide | 60% |
With potassium tert-butylate In tetrahydrofuran; water; dimethyl sulfoxide | 60% |
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere; | 60% |
IUPAC Name: 4-(Trifluoromethylsulfanyl)phenol
Canonical SMILES: C1=CC(=CC=C1O)SC(F)(F)F
InChI: InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKey: YYCPTWHVKSATQK-UHFFFAOYSA-N
Molecular Weight: 194.17421 [g/mol]
Molecular Formula: C7H5F3OS
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Product Categories: Aromatic Phenols; Organic Building Blocks; Sulfides / Disulfides; Sulfur Compounds
Sensitive: Stench
Index of Refraction: 1.529
Molar Refractivity: 41.28 cm3
Molar Volume: 133.8 cm3
Surface Tension: 39.2 dyne/cm
Density: 1.45 g/cm3
Flash Point: 56.9 °C
Enthalpy of Vaporization: 42.36 kJ/mol
Boiling Point: 170.4 °C at 760 mmHg
Vapour Pressure: 1.11 mmHg at 25 °C
Appearance: Colorless or primrose yellow crystal
Melting Point of Phenol,4-[(trifluoromethyl)thio]- (CAS NO.461-84-7): 57-60 °C(lit.)
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
HazardClass: IRRITANT, STENCH
Phenol,4-[(trifluoromethyl)thio]- (CAS NO.461-84-7), its Synonyms are 4-Trifluoromethylmercaptophenol ; 4-Trifluoromethylsulfanylphenol ; 4-(Trifluoromethylthio)phenol .
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