(trichloromethoxy)benzene
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
With hydrogen fluoride at 95℃; under 21002.1 Torr; Temperature; Pressure; Autoclave; | 95.46% |
90% | |
With antimonypentachloride; antimony(III) fluoride |
α,α-difluorophenoxyacetic acid
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
With tetrafluoroboric acid; selectfluor II; silver nitrate In dichloromethane; water at 80℃; for 12h; Reagent/catalyst; Inert atmosphere; | 84% |
With xenon difluoride In chloroform-d1 at 23℃; for 0.0833333h; Inert atmosphere; Sealed tube; | 39% |
With phosphoric acid; silver trifluoromethanesulfonate; Selectfluor In dichloromethane; water at 55℃; for 1h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Glovebox; | 90 %Spectr. |
Conditions | Yield |
---|---|
at 42℃; for 3h; | A 78% B n/a |
Conditions | Yield |
---|---|
at 42℃; for 3h; | A 76% B n/a |
Conditions | Yield |
---|---|
With sodium hydroxide; hydrogen; palladium on activated charcoal In ethanol under 2068.6 Torr; for 5h; | 74.4% |
Conditions | Yield |
---|---|
at 42℃; for 3h; | A 74% B n/a |
Conditions | Yield |
---|---|
at 42℃; for 3h; | A 74% B n/a |
Conditions | Yield |
---|---|
With hydrogen fluoride | A 31% B 69% |
Bis-(trifluormethyl)-bis-(trifluormethoxy)-sulfuran
phenol
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
In diethyl ether 25°C, 0.5 h; | 53% |
S-(trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate
phenol
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
at 80℃; for 1.5h; | 13% |
Conditions | Yield |
---|---|
With antimonypentachloride; antimony(III) fluoride |
Conditions | Yield |
---|---|
With hypophosphoric acid Diazotization; |
hypofluorous acid trifluoromethyl ester
benzene
A
fluorobenzene
B
para-difluorobenzene
C
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
In dichloromethane at 0℃; Title compound not separated from byproducts; | A 39 % Chromat. B 2 % Chromat. C 2 % Chromat. |
benzene
A
fluorobenzene
B
para-difluorobenzene
C
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
With hypofluorous acid trifluoromethyl ester In dichloromethane at 0℃; Product distribution; other sub. aromatic hydrocarbons and anilines; other solvents and temp.; | |
With hypofluorous acid trifluoromethyl ester In dichloromethane at 0℃; Title compound not separated from byproducts; | A 39 % Chromat. B 2 % Chromat. C 2 % Chromat. |
hypofluorous acid trifluoromethyl ester
benzene
A
fluorobenzene
B
1-trifluoromethoxybenzene
(trichloromethoxy)benzene
A
1-trifluoromethoxybenzene
B
difluorochloromethoxybenzene
Conditions | Yield |
---|---|
With hydrogen fluoride; antimonypentachloride at 50℃; under 7500.6 Torr; for 1h; Product distribution; Further Variations:; Reagents; Temperatures; time; | |
With hydrogen fluoride; antimonypentachloride at 50℃; under 7500.75 Torr; for 1h; Inert atmosphere; Autoclave; |
Conditions | Yield |
---|---|
Stage #1: 5-tert-butyl-2'-(trifluoromethoxy)biphenylyl-2-diazonium hexafluoroantimonate In dichloromethane at -100 - -90℃; for 1.16667h; Irradiation; Stage #2: phenol With N-ethyl-N,N-diisopropylamine In dichloromethane at -90 - -10℃; for 3h; Further stages.; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 60.7 percent / HF / 150 °C / several hours 2: 74.4 percent / H2, NaOH / 10percent Pd/C / ethanol / 5 h / 2068.6 Torr View Scheme |
dichloro-phenoxy-methanesulfenyl chloride
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chlorine 2: antimony (III)-fluoride; antimony (V)-chloride View Scheme | |
Multi-step reaction with 3 steps 1: chlorine 2: antimony (III)-fluoride 3: antimony (III)-fluoride; antimony (V)-chloride View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: chlorine 2: chlorine 3: antimony (III)-fluoride; antimony (V)-chloride View Scheme | |
Multi-step reaction with 4 steps 1: chlorine 2: chlorine 3: antimony (III)-fluoride 4: antimony (III)-fluoride; antimony (V)-chloride View Scheme |
2-(dimethylamino)-1,3-dimethylimidazolidin-2-ylium trifluoromethanolate
2-(trimethylsilyl)phenyl trifluoromethanesulfonate
A
fluorobenzene
B
1-trifluoromethoxybenzene
Conditions | Yield |
---|---|
In diethyl ether; acetonitrile at 0 - 20℃; Title compound not separated from byproducts.; |
bis(trifluoromethyl)bis(trifluoromethoxy)oxosulfur(VI)
phenol
A
1-trifluoromethoxybenzene
B
bis(trifluoromethyl)sulfone
Conditions | Yield |
---|---|
In diethyl ether 25°C, 0.5 h; |
bromochlorobenzene
1-bromo-4-(trifluoromethoxy)benzene
A
1-trifluoromethoxybenzene
B
chlorobenzene
Conditions | Yield |
---|---|
Stage #1: bromochlorobenzene; 1-bromo-4-(trifluoromethoxy)benzene With TurboGrignard In tetrahydrofuran at 0℃; Stage #2: With methanol In tetrahydrofuran Reactivity; |
1-bromo-3-chlorobenzene
1-bromo-3-(trifluoromethoxy)benzene
A
1-trifluoromethoxybenzene
B
chlorobenzene
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-chlorobenzene; 1-bromo-3-(trifluoromethoxy)benzene With TurboGrignard In tetrahydrofuran at 0℃; Stage #2: With methanol In tetrahydrofuran Reactivity; |
1-bromo-3-chlorobenzene
1-bromo-4-(trifluoromethoxy)benzene
A
1-trifluoromethoxybenzene
B
chlorobenzene
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-chlorobenzene; 1-bromo-4-(trifluoromethoxy)benzene With TurboGrignard In tetrahydrofuran at 0℃; Stage #2: With methanol In tetrahydrofuran Reactivity; |
2-bromo-1-chlorobenzene
1-bromo-2-(trifluoromethoxy)benzene
A
1-trifluoromethoxybenzene
B
chlorobenzene
Conditions | Yield |
---|---|
Stage #1: 2-bromo-1-chlorobenzene; 1-bromo-2-(trifluoromethoxy)benzene With TurboGrignard In tetrahydrofuran at 0℃; Stage #2: With methanol In tetrahydrofuran Reactivity; |
1-bromo-3-(trifluoromethoxy)benzene
4-bromobenzenecarbonitrile
A
1-trifluoromethoxybenzene
B
benzonitrile
Conditions | Yield |
---|---|
Stage #1: 1-bromo-3-(trifluoromethoxy)benzene; 4-bromobenzenecarbonitrile With TurboGrignard In tetrahydrofuran at 0℃; Stage #2: With methanol In tetrahydrofuran Reactivity; |
1-trifluoromethoxybenzene
1-iodo-2-(trifluoromethoxy)benzene
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran Stage #2: With iodine In tetrahydrofuran | 99% |
1-trifluoromethoxybenzene
A
(trichloromethoxy)benzene
B
α,α,α-dichlorofluoromethoxybenzene
Conditions | Yield |
---|---|
With aluminium trichloride In dichloromethane at 0 - 10℃; for 0.5h; | A 98.2% B 1.8% |
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With sodium ferrate(VI); sodium bromide In dimethyl sulfoxide at 95℃; for 4h; Inert atmosphere; Stage #2: With sodium amide In dimethyl sulfoxide at 155℃; under 3040.2 Torr; for 10h; Solvent; Temperature; Reagent/catalyst; Pressure; Inert atmosphere; | 98.2% |
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / dichloromethane / 2 h / 0 - 30 °C 2: iron; hydrogenchloride / methanol / 2 h / 60 - 65 °C View Scheme |
1-trifluoromethoxybenzene
p-toluenesulfonyl chloride
trifluoromethoxy-4 phenyl, methyl-4' phenyl sulfone
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 20℃; for 23h; | 94% |
With potassium hydroxide; HF In water | 94% |
1-trifluoromethoxybenzene
N,N-dimethyl-formamide
2-(trifluoromethoxy)benzaldehyde
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 2h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; cyclohexane at -75℃; Further stages.; | 93% |
1-trifluoromethoxybenzene
4-fluorobenzoyl chloride
trifluoromethoxy-4 fluoro-4' benzophenone
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 20℃; for 2h; | 92% |
1-trifluoromethoxybenzene
4-chloro-benzoyl chloride
(4-chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 10℃; for 3h; | 92% |
1-trifluoromethoxybenzene
acetyl chloride
1-[4-(trifluoromethoxy)phenyl]ethan-1-one
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 20℃; for 3h; further acid chlorides; | 91% |
With hydrogen fluoride; boron trifluoride at 20℃; for 3h; | 91% |
With iron(III) chloride In nitromethane for 1h; Product distribution; Ambient temperature; investigation of the acetylation reaction; relative reactivity data compared to benzene; | 100 % Chromat. |
1-trifluoromethoxybenzene
2-trifluoromethylbenzoyl chloride
trifluoromethoxy-4 trifluoromethyl-2' benzophenone
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 30℃; for 2h; | 91% |
1-trifluoromethoxybenzene
4-trifluoromethyl-phenyl acetyl chloride
trifluoromethoxy-4 trifluoromethyl-4' benzophenone
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 30℃; for 4h; | 90% |
1-trifluoromethoxybenzene
isobutyryl chloride
2-methyl-1-(4-(trifluoromethoxy)phenyl)propan-1-one
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 0℃; for 5h; | 90% |
1-trifluoromethoxybenzene
o-chlorobenzoyl chloride
trifluoromethoxy-4 chloro-2' benzophenone
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 20℃; for 1h; | 89% |
1-trifluoromethoxybenzene
2-trifluoromethoxyphenylboronic acid
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 2h; Stage #2: With fluorodimethoxyborane diethyl etherate In tetrahydrofuran; cyclohexane at -75℃; Stage #3: With water In tetrahydrofuran; cyclohexane for 0.5h; Further stages.; | 89% |
1-trifluoromethoxybenzene
2-(trifluoromethoxy)phenol
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 2h; Stage #2: With fluorodimethoxyborane diethyl etherate In tetrahydrofuran; cyclohexane at -75℃; Stage #3: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran; cyclohexane Further stages.; | 88% |
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 2h; Stage #2: Ethyl oxalyl chloride In tetrahydrofuran; cyclohexane at -75℃; Further stages.; | 87% |
1-trifluoromethoxybenzene
1-ethoxy-2,2-difluoroethanol
1,1-difluoro-2,2-bis[p-(trifluoromethoxy)benzene]ethane
Conditions | Yield |
---|---|
With boron trifluoride monohydrate In water at 0℃; for 1h; Friedel Crafts hydroxyalkylation; | 86% |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid In dichloromethane at 0 - 30℃; for 2h; | 85% |
Conditions | Yield |
---|---|
With bromine; iron at 100℃; for 16h; | 83.8% |
1-trifluoromethoxybenzene
4-dimethylaminophenylmagnesium bromide
N,N-dimethyl-4-biphenylamine
Conditions | Yield |
---|---|
With C68H72Cl2N6NiP2 In toluene at 120℃; for 16h; Inert atmosphere; | 83% |
Conditions | Yield |
---|---|
With trifluoromethylsulfonic anhydride at 20℃; | 82% |
1-trifluoromethoxybenzene
m-Chlorobenzoyl chloride
(3-chlorophenyl)(2-trifluoromethoxyphenyl)methanone
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With aluminum tris-(tert-butyl-(1-isopropyl-2,2-dimethyl-propyl)amide)-tris(lithium chloride) In tetrahydrofuran at 0℃; for 3h; Inert atmosphere; Stage #2: With zinc(II) chloride In tetrahydrofuran at -30℃; for 0.25h; Inert atmosphere; Stage #3: m-Chlorobenzoyl chloride With copper(I) cyanide*2 lithium chloride In tetrahydrofuran at -30 - 25℃; Inert atmosphere; regioselective reaction; | 81% |
1-trifluoromethoxybenzene
acetyl chloride
A
(trichloromethoxy)benzene
B
1-[4-(trifluoromethoxy)phenyl]ethan-1-one
Conditions | Yield |
---|---|
With aluminium trichloride In tetrachloromethane for 2h; Product distribution; Further Variations:; Solvents; | A 80% B 20% |
5-decyne
1-trifluoromethoxybenzene
1,2,3,4-tetrabutyl-6-(trifluoromethoxy)naphthalene
Conditions | Yield |
---|---|
With copper(II) 2-ethylhexanoate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; 2,2',3,3',4,4',5,5',6,6'-Decabromodiphenyl ether at 160℃; for 3h; Inert atmosphere; Microwave irradiation; | 80% |
triethylsilane
1-trifluoromethoxybenzene
A
triethylsilyl fluoride
B
methoxybenzene
Conditions | Yield |
---|---|
With C21H16N3P(2+) In dichloromethane at 50℃; for 96h; Reagent/catalyst; | A 80% B n/a |
1-trifluoromethoxybenzene
A
4-nitrophenyl trifluoromethyl ether
B
o-nitro-α,α,α-trifluoromethoxybenzene
Conditions | Yield |
---|---|
With magnesium(II) perchlorate; N–nitrosaccharin In [D3]acetonitrile at 85℃; for 19h; Inert atmosphere; Sealed tube; Overall yield = 97 percent; | A 79.7% B 17.3% |
With nitronium tetrafluoborate In nitromethane at 25℃; for 2h; Product distribution; further nitrating reagents, solvents and temperature; investigation of the nitration reaction; Hammett-Brown plot (relative reactivity data compared to benzene); | A 88.5 % Chromat. B 11.5 % Chromat. |
With sulfuric acid; nitric acid at -0.16℃; Temperature; Flow reactor; | A 90.97 %Chromat. B 7.26 %Chromat. |
carbon dioxide
1-trifluoromethoxybenzene
2-(trifluoromethoxy)benzoic acid
Conditions | Yield |
---|---|
Stage #1: 1-trifluoromethoxybenzene With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 2h; Stage #2: carbon dioxide In tetrahydrofuran; cyclohexane at -78℃; Further stages.; | 78% |
Product Name: (Trifluoromethoxy)benzene (CAS NO.456-55-3)
Molecular Formula: C7H5F3O
Molecular Weight: 162.11g/mol
Mol File: 456-55-3.mol
EINECS: 207-269-5
Appearance: Colorless to light yellow liquid
Boiling point: 102.8 °C at 760 mmHg
Storage Temperature: Flammables area
Flash Point: 12.2 °C
Density: 1.248 g/cm3
Refractive index: n20/D 1.406(lit.)
Index of Refraction: 1.427
Molar Refractivity: 33.38 cm3
Molar Volume: 129.8 cm3
Surface Tension: 24 dyne/cm
Enthalpy of Vaporization: 32.78 kJ/mol
Vapour Pressure: 38.3 mmHg at 25°C
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of (Trifluoromethoxy)benzene (CAS NO.456-55-3):
IUPAC Name: trifluoromethoxybenzene
Canonical SMILES: C1=CC=C(C=C1)OC(F)(F)F
InChI: InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey: GQHWSLKNULCZGI-UHFFFAOYSA-N
Product Categories: Trifluoromethoxybenzene Series; Aromatic Halides (substituted)
Safety Information of (Trifluoromethoxy)benzene (CAS NO.456-55-3):
Hazard Codes: F,Xi,C
Risk Statements: 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36/37/39-9-33
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S9:Keep container in a well-ventilated place.
S33:Take precautionary measures against static discharges.
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
Hazard Note: Flammable/Corrosive
TSCA: T
HazardClass: 3
PackingGroup: II
(Trifluoromethoxy)benzene , its CAS NO. is 456-55-3, the synonym is Benzene, (trifluoromethoxy)- .
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