2,4,6-trifluorobenzoic acid
3,5-difluorophenol
Conditions | Yield |
---|---|
With potassium phosphate In tert-butyl methyl ether; water at 100 - 125℃; for 35h; Reagent/catalyst; Temperature; Solvent; Sealed tube; | 96.1% |
With water; potassium hydroxide at 90 - 135℃; for 35h; Sealed tube; | 95.1% |
3,5-difluorophenylboronic acid
3,5-difluorophenol
Conditions | Yield |
---|---|
With dihydrogen peroxide; iodine In dichloromethane at 20℃; for 0.666667h; Solvent; | 84.9% |
With water at 20℃; for 20h; | 50 %Chromat. |
Conditions | Yield |
---|---|
With sulfolane; potassium hydroxide In water at 130℃; under 6000.6 Torr; for 8h; Inert atmosphere; Autoclave; | 80.8% |
3,5-difluoro-1-(diethoxymethylsilyl)benzene
3,5-difluorophenol
Conditions | Yield |
---|---|
With potassium fluoride; dihydrogen peroxide In ethanol for 18h; Heating; | 70% |
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 132 - 134℃; for 1h; | 40% |
1,3,5-trifluorobenzene
A
2,2’,4,4’,6,6’-hexafluorobiphenyl
B
3,5-difluorophenol
Conditions | Yield |
---|---|
In water pH=5; Kinetics; Quantum yield; Oxidation; Photolysis; 254 nm; |
Conditions | Yield |
---|---|
With dihydrogen peroxide; oxygen In water pH=5; Kinetics; Oxidation; Photolysis; 254 nm; |
Conditions | Yield |
---|---|
With dihydrogen peroxide In water pH=5; Kinetics; Oxidation; Photolysis; 254 nm; |
Conditions | Yield |
---|---|
With dihydrogen peroxide In acetonitrile at 60℃; for 15h; Catalytic behavior; |
3,4,5-trifluoro aniline
3,5-difluorophenol
Conditions | Yield |
---|---|
Stage #1: 3,4,5-trifluoro aniline With sulfuric acid; sodium nitrite at 20 - 55℃; Stage #2: With dichloromethane; hypophosphorous acid at 20 - 55℃; for 0.5h; |
2,4,6-trifluoro-3,5-dichlorobenzonitrile
3,5-difluorophenol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 2: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 3: potassium phosphate / water; tert-butyl methyl ether / 35 h / 100 - 125 °C / Sealed tube View Scheme |
2,4,6-trifluoro-3,5-dichlorobenzoic acid
3,5-difluorophenol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 2: potassium phosphate / water; tert-butyl methyl ether / 35 h / 100 - 125 °C / Sealed tube View Scheme |
pentachlorobenzonitrile
3,5-difluorophenol
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: potassium fluoride; tetraphenylphosphonium bromide / 20 h / 200 - 210 °C 2: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 3: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 4: potassium phosphate / water; tert-butyl methyl ether / 35 h / 100 - 125 °C / Sealed tube View Scheme |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 40℃; for 5h; | 100% |
With potassium carbonate In acetone at 60℃; for 18h; | 80% |
With potassium carbonate In acetone at 60℃; for 18h; | 80% |
With hydrogenchloride In tetrahydrofuran |
3,5-difluorophenol
tert-butylchlorodiphenylsilane
(tert-butyl)(3,5-difluorophenoxy)diphenylsilane
Conditions | Yield |
---|---|
With 1H-imidazole In dichloromethane at 0℃; for 3.75h; | 100% |
Conditions | Yield |
---|---|
Stage #1: aniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; Stage #2: With aminosulfonic acid In water Stage #3: 3,5-difluorophenol With hydrogenchloride; sodium hydroxide more than 3 stages; | 100% |
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 80℃; Large scale; | 100% |
Conditions | Yield |
---|---|
Stage #1: 3,5-difluorophenol With triethylamine; magnesium chloride In acetonitrile at 20℃; Inert atmosphere; Stage #2: formaldehyd In acetonitrile at 20 - 80℃; Inert atmosphere; Stage #3: With hydrogenchloride; water In acetonitrile | 100% |
With triethylamine; magnesium chloride In acetonitrile at 60℃; for 16h; | 82% |
With triethylamine; magnesium chloride In acetonitrile at 60℃; for 16h; | 82% |
With triethylamine; magnesium chloride In acetonitrile at 60℃; for 14h; |
3,5-difluorophenol
cyclopropylcarbinyl bromide
1-(cyclopropylmethoxy)-3,5-difluorobenzene
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 16h; | 90% |
2-methyl-1,2-epoxypropane
3,5-difluorophenol
1-(3,5-difluorophenoxy)-2-methylpropan-2-ol
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 0.5h; Microwave irradiation; | 100% |
With sodium dihydrogenphosphate; water; potassium carbonate In acetonitrile at 140℃; for 6h; steel bomb; | 79% |
3,5-difluorophenol
methanesulfonyl chloride
3,5-difluorophenyl methanesulfonate
Conditions | Yield |
---|---|
With triethylamine In ethyl acetate at 0 - 20℃; for 0.166667h; Green chemistry; | 99% |
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere; | 81% |
3,5-difluorophenol
3,4-bis(4-methoxyphenyl)-6-chloropyridazine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 6h; | 98% |
at 150℃; for 6h; | 98% |
5,5a-didehydro-2,3-O-[(2R,3R)-2,3-dimethoxybutane-2,3-diyl]-4,6-O-isopropylidene-5a-carba-β-D-xylohexopyranose
3,5-difluorophenol
Conditions | Yield |
---|---|
Stage #1: 5,5a-didehydro-2,3-O-[(2R,3R)-2,3-dimethoxybutane-2,3-diyl]-4,6-O-isopropylidene-5a-carba-β-D-xylohexopyranose; 3,5-difluorophenol With triphenylphosphine In tetrahydrofuran at 0℃; for 0.333333h; Inert atmosphere; Stage #2: With di-isopropyl azodicarboxylate In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 97% |
3,5-difluorophenol
4-Fluorobenzyl bromide
3,5-difluoro-(4-fluoro-benzyloxy)-benzene
Conditions | Yield |
---|---|
With potassium carbonate In diethyl ether; acetone | 96% |
With potassium carbonate In acetone for 6h; Heating / reflux; | 96% |
Conditions | Yield |
---|---|
With potassium carbonate In tetrahydrofuran; water at 0 - 20℃; for 2h; Green chemistry; | 96% |
Conditions | Yield |
---|---|
Stage #1: 3,5-difluorophenol With sodium hydroxide In tetrahydrofuran for 0.166667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h; | 96% |
2-methoxy-ethanol
3,5-difluorophenol
1,3-difluoro-5-(2-methoxyethoxy)benzene
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 18h; | 95% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 18h; | 95% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 18h; | 95% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h; | 94% |
With potassium carbonate In acetone for 24h; Heating; | 90% |
3,5-difluorophenol
Isopropyl isocyanate
3,5-difluorophenyl isopropylcarbamate
Conditions | Yield |
---|---|
94% |
3,5-difluorophenol
tert-butyl 3-hydroxyazetidine-1-carboxylate
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 60℃; for 48h; | 94% |
With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 18h; |
3,5-difluorophenol
5-fluoro-2-nitrobenzonitrile
5-(3,5-difluoro-phenoxy)-2-nitro-benzonitrile
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; | 93% |
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl acetamide at 80℃; for 1.5h; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
Stage #1: p-aminoethylbenzoate With sulfuric acid; sodium nitrite In water; acetic acid at 5℃; for 0.5h; Stage #2: 3,5-difluorophenol With sodium hydroxide In water at 5℃; Stage #3: With hydrogenchloride In water | 92% |
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 12h; | 92% |
Conditions | Yield |
---|---|
Stage #1: 3,5-difluorophenol In dichloromethane at 20℃; for 0.5h; Stage #2: 2-chloro-1,3,2-dioxaphospholan In dichloromethane at 0 - 20℃; for 12h; | 92% |
3,5-difluorophenol
tert-butyldimethylsilyl chloride
tert-butyl (3,5-difluorophenoxy)dimethylsilane
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; for 0.333333h; | 91% |
Stage #1: 3,5-difluorophenol With 1H-imidazole In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: tert-butyldimethylsilyl chloride In N,N-dimethyl-formamide; toluene at 20℃; for 1h; | 88.7% |
With 1H-imidazole In N,N-dimethyl-formamide at 0℃; for 3h; | 73% |
5,6-anhydro-2,3-dideoxy-2-methyl-D-glucono-1,4-lactone
3,5-difluorophenol
C13H14F2O4
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 4h; | 91% |
3,5-difluorophenol
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 20h; Sealed tube; | 91% |
Conditions | Yield |
---|---|
With trimethylbenzylammonium bromide; sodium hydroxide In water; N,N-dimethyl-formamide; toluene at 30℃; Reflux; Industrial scale; | 90.7% |
Tetrahydro-pyran-4-ol
3,5-difluorophenol
4-(3,5-difluorophenoxy)tetrahydro-2H-pyran
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; | 90% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; | 90% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; | 90% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 6h; Inert atmosphere; Schlenk technique; | 90% |
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 100℃; for 1h; | 89% |
The 3,5-Difluorophenol is an organic compound with the formula C6H4F2O. The IUPAC name of this chemical is 3,5-difluorophenol. With the CAS registry number 2713-34-0, it is also named as Phenol, 3,5-difluoro-. The product's categories are Fluorobenzene Series; Aromatic Phenols; Fluorobenzene; Phenol & Thiophenol & Mercaptan; Fluorophenols; Organic Building Blocks; Oxygen Compounds; Phenols. Besides, it is a white to beige crystal.
Physical properties about 3,5-Difluorophenol are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 40.22; (5)ACD/BCF (pH 7.4): 31.84; (6)ACD/KOC (pH 5.5): 489.36; (7)ACD/KOC (pH 7.4): 387.49; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 28.12 cm3; (14)Molar Volume: 96.2 cm3; (15)Polarizability: 11.14×10-24cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Density: 1.351 g/cm3; (18)Flash Point: 70.6 °C; (19)Enthalpy of Vaporization: 42.86 kJ/mol; (20)Boiling Point: 175.4 °C at 760 mmHg; (21)Vapour Pressure: 0.856 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,3,5-trifluoro-benzene. This reaction will need reagent potassium hydroxide and solvent dimethylsulfoxide. The reaction time is 60 min with reaction temperature of 132 - 134 °C. The yield is about 40%.
Uses of 3,5-Difluorophenol: it can be used to produce 1-butoxy-3,5-difluorobenzene by heating. It will need reagent potassium carbonate and solvent acetone with reaction time of 24 hours. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(O)cc(F)c1
(2)InChI: InChI=1/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
(3)InChIKey: HJSSBIMVTMYKPD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
(5)Std. InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N
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