Conditions | Yield |
---|---|
With 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-7-methylbenzo-[d]imidazole; [Zr(2,6-bis(5-methyl-3-phenyl-1H-pyrrol-2-yl)pyridine)2] In benzene-d6 for 2.5h; Catalytic behavior; UV-irradiation; Inert atmosphere; Schlenk technique; | 98% |
With 1,2,3-trimethoxybenzene; (3,5-dimethyl-2-(2-pyridyl)pyrrolide)3ZrCl; 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-7-methylbenzo-[d]imidazole In benzene-d6 at 33℃; for 0.5h; Time; Irradiation; Glovebox; | 85% |
With N,N,N,N,-tetramethylethylenediamine In dimethylsulfoxide-d6 at 20℃; for 15h; Irradiation; | 41% |
Stage #1: Ethyl bromodifluoroacetate With zinc In tetrahydrofuran at 20 - 50℃; for 1h; Inert atmosphere; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 0℃; Product distribution / selectivity; | ~ 90 %Chromat. |
With hydrogen; nickel; triethylamine In ethanol at 80℃; under 3750.38 - 7500.75 Torr; |
Conditions | Yield |
---|---|
With N,N-dimethyl acetamide for 4h; Product distribution / selectivity; Inert atmosphere; Sealed tube; Cooling with ice; | 96% |
With sodium carbonate at 5 - 20℃; for 1h; Product distribution / selectivity; Inert atmosphere; | 77% |
at 20℃; for 0.5h; |
Conditions | Yield |
---|---|
With sulfuric acid at 0 - 70℃; for 2h; Temperature; | 93.98% |
1,1-diethoxy-2,2-difluoro-ethane
ethyl difluoroacetate
Conditions | Yield |
---|---|
With dihydrogen peroxide; vanadia at 5℃; for 5h; | 89.9% |
Conditions | Yield |
---|---|
With sulfuric acid In water at 54 - 56℃; for 1h; | 87% |
Stage #1: Ethyl 1,1,2,2-tetrafluoroethyl ether With sulfuric acid; hydrogen fluoride In ethanol; water at -20 - 50℃; for 24h; Autoclave; Stage #2: With sodium hydrogencarbonate at 20℃; under 760.051 Torr; for 1h; Reagent/catalyst; | 86% |
With nitric acid | |
With sulfuric acid | |
With water; fluorinated γ-alumina at 180℃; for 0.0202778h; Product distribution / selectivity; Inert atmosphere; Gas phase; |
Conditions | Yield |
---|---|
With sulfuric acid; silica gel at 50℃; for 24h; Time; Autoclave; | 86% |
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen; triethylamine In ethanol at 30℃; under 750.075 - 3000.3 Torr; | 75% |
With zinc In N,N-dimethyl-formamide at 70℃; Yield given; |
1-Heptene
ethyl 2,2-difluoro-2-iodoacetate
A
ethyl difluoroacetate
B
Ethyl 2,2-Difluoro-4-iodononanoate
Conditions | Yield |
---|---|
With hydroquinone; nickel dichloride; zinc In tetrahydrofuran; water 1) RT, 15 min, 2) RT, 20 min; | A 70% B 17% |
ethyl 2-chloro-2,2-difluoroacetate
A
Difluoroacetic acid
B
ethyl difluoroacetate
C
2-chloro-2,2-difluoroacetic acid
Conditions | Yield |
---|---|
With ethanol; zinc for 1 - 3h; Product distribution / selectivity; Heating / reflux; | A 9.7% B 61.6% C 0.4% |
Conditions | Yield |
---|---|
With sulfuric acid In water at 10 - 120℃; for 14h; | 57% |
2-oxo-propionic acid ethyl ester
Ethyl bromodifluoroacetate
A
ethyl difluoroacetate
Conditions | Yield |
---|---|
Stage #1: 2-oxo-propionic acid ethyl ester; Ethyl bromodifluoroacetate In N,N-dimethyl-formamide at -20℃; Stage #2: With Tetrakis(dimethylamino)ethylen In N,N-dimethyl-formamide at -20 - 20℃; | A n/a B 25% |
Ethyl bromodifluoroacetate
1,3,5-tris(4-methoxybenzyl)hexahydro-1,3,5-triazine
A
ethyl difluoroacetate
Conditions | Yield |
---|---|
Stage #1: Ethyl bromodifluoroacetate With chloro-trimethyl-silane; zinc In tetrahydrofuran for 0.416667h; Stage #2: 1,3,5-tris(4-methoxybenzyl)hexahydro-1,3,5-triazine In tetrahydrofuran at 25℃; for 3h; | A n/a B 25% C n/a D n/a |
Conditions | Yield |
---|---|
With potassium fluoride In ethanol; water at 100℃; for 40h; Solvent; Concentration; | 21% |
With potassium fluoride; C6H9BO4 In ISOPROPYLAMIDE at 20 - 75℃; Halex reaction; |
chloro-trimethyl-silane
ethyl trifluoroacetate,
A
ethyl difluoroacetate
B
α-(trimethylsilyl)difluoroacetic acid ethyl ester
C
trifluoroacetyltrimethylsilane ethyltrimethylsilyl ketal
Conditions | Yield |
---|---|
With tetrabutylammomium bromide In tetrahydrofuran at -25℃; Electrochemical reaction; Further byproducts given; | A 8% B 8 % Spectr. C 33 % Spectr. D 1 % Spectr. |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
With fluorine at 100℃; ueber Kupferdrahtnetz und Umsetzen der Reaktionsprodukte mit absol.Aethanol; |
diazomethane
diethyl ether
1,1,2,3,4,4-hexafluoro-2-butene
A
difluoroacetic acid methyl ester
B
ethyl difluoroacetate
Conditions | Yield |
---|---|
With potassium hydroxide; potassium permanganate 1.) 60 degC, water; Yield given. Multistep reaction. Yields of byproduct given; |
Conditions | Yield |
---|---|
With N-(2-chloro-1,1,2-trifluoroethyl)diethylamine; sodium fluoride 1.) -78 deg C, 15 min, 2.) triglyme; Yield given. Multistep reaction; |
ethyl trifluoroacetate,
A
ethane
B
Fluoroacetic acid
C
ethyl 2-fluoroacetate
D
ethyl difluoroacetate
E
ethyl acetate
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide for 2h; Quantum yield; Irradiation; |
acetyl fluoride
A
ethyl 2-fluoroacetate
B
ethyl difluoroacetate
C
ethyl trifluoroacetate,
Conditions | Yield |
---|---|
at 100℃; Umsetzen der Reaktionsprodukte mit absol.Aethanol bei -80grad,zuletzt bei Siedetemperatur; |
N-benzylidene benzylamine
α-(trimethylsilyl)difluoroacetic acid ethyl ester
A
ethyl difluoroacetate
B
N-benzylidene-α-(trimethylsilyl)benzylamine
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; potassium fluoride at 50℃; for 12h; |
Ethyl bromodifluoroacetate
ethyl acrylate
A
ethyl difluoroacetate
B
2,2-difluoroglutaric acid diethyl ester
Conditions | Yield |
---|---|
With N,N,N,N,-tetramethylethylenediamine; water; copper In tetrahydrofuran Michael Addition; | A 10 %Spectr. B 52 %Spectr. |
Ethyl bromodifluoroacetate
phenylboronic acid
A
ethyl difluoroacetate
B
ethyl 2,2-difluoro-2-phenylacetate
Conditions | Yield |
---|---|
With 2,2':6,2''-terpyridine; nickel chloride dimethyl ether; potassium carbonate In 1,4-dioxane at 80℃; for 8h; Schlenk technique; Inert atmosphere; | A 7 %Spectr. B 1 %Spectr. |
With [2,2]bipyridinyl; [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; potassium carbonate In 1,4-dioxane at 80℃; for 8h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; | A 6 %Spectr. B 89 %Spectr. |
1-ethenyl-2-pyrrolidinone
Ethyl bromodifluoroacetate
4-biphenylboronic acid
A
ethyl difluoroacetate
C
2-([1,1'-biphenyl]-4-yl)-2,2-difluoroacetic acid ethyl ester
Conditions | Yield |
---|---|
With (1,2-dimethoxyethane)dichloronickel(II); 4,4'-dibromo-2,2'-bipyridine; potassium carbonate In tetrahydrofuran at 80℃; for 24h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; | A 15 %Spectr. B 53 %Spectr. C 13 %Spectr. |
1-ethenyl-2-pyrrolidinone
Ethyl bromodifluoroacetate
4-biphenylboronic acid
A
ethyl difluoroacetate
D
2-([1,1'-biphenyl]-4-yl)-2,2-difluoroacetic acid ethyl ester
Conditions | Yield |
---|---|
With bis(triphenylphosphine)nickel(II) chloride; 4,4'-Dimethoxy-2,2'-bipyridin; potassium carbonate In tetrahydrofuran at 80℃; for 24h; Concentration; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; | A 13 %Spectr. B 49 %Spectr. C 7 %Spectr. D 36 %Spectr. |
ethyl 2-chloro-2,2-difluoroacetate
A
difluoroethanol
B
ethyl difluoroacetate
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen; triethylamine In ethanol at 45℃; under 7500.75 - 30003 Torr; for 5h; Temperature; Time; Pressure; |
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen; triethylamine In tetrahydrofuran at 100℃; under 750.075 - 15001.5 Torr; | |
With diethylzinc In hexane; [D3]acetonitrile at -20℃; for 8h; Schlenk technique; Inert atmosphere; |
ethyl difluoroacetate
1-ethoxy-2,2-difluoroethanol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether at -78℃; for 2.75h; | 100% |
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether at -78℃; for 3h; | 60% |
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether at -78℃; for 3h; Reagent/catalyst; Solvent; | 60% |
ethyl difluoroacetate
Conditions | Yield |
---|---|
In methanol at 20℃; for 16h; | 100% |
Conditions | Yield |
---|---|
With potassium tert-butylate In toluene at 0 - 20℃; for 2h; Inert atmosphere; | 100% |
With potassium tert-butylate In toluene at 0 - 20℃; for 2h; Inert atmosphere; | 100% |
With potassium tert-butylate In toluene at 0 - 20℃; Inert atmosphere; | 100% |
With potassium tert-butylate In toluene at 0 - 20℃; for 2h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With potassium tert-butylate In toluene at 0 - 20℃; for 2h; Inert atmosphere; | 100% |
(S)-{(1α,5α,6α)-3-[4-(5-aminomethyl-2-oxooxazolidin-3-yl)-2,6-difluorophenyl]-3-azabicyclo[3.1.0]hex-6-yl}carbamic acid tert-butyl ester
ethyl difluoroacetate
(S)-[(1α,5α,6α)-3-(4-{5-[(2,2-difluoroacetylamino)methyl]-2-oxooxazolidin-3-yl}-2,6-difluorophenyl)-3-azabicyclo[3.1.0]hex-6-yl]carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
With triethylamine In methanol at 20℃; for 15h; | 99% |
With triethylamine In methanol at 20℃; for 15h; | 99% |
ethyl difluoroacetate
5-(aminomethyl)-2-chloropyridine
N-(2-chloro-5-aminomethylpyridine)-1,1-difluoroacetamide
Conditions | Yield |
---|---|
at 100℃; for 1h; Reflux; | 99% |
ethyl difluoroacetate
trifluoroacetic acid
A
Difluoroacetic acid
B
ethyl trifluoroacetate,
Conditions | Yield |
---|---|
at 85℃; Product distribution / selectivity; | A 99% B n/a |
Conditions | Yield |
---|---|
With potassium tert-butylate In toluene at 0 - 20℃; for 2h; Inert atmosphere; | 99% |
With potassium tert-butylate In toluene at 0 - 20℃; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With potassium tert-butylate In toluene at 0 - 20℃; Inert atmosphere; | 99% |
chloro-trimethyl-silane
benzophenone
ethyl difluoroacetate
diphenylmethyl trimethylsilyl ether
Conditions | Yield |
---|---|
With magnesium In 1-methyl-pyrrolidin-2-one at 20℃; Inert atmosphere; | 98% |
tert-butyl 3-acetylpiperidine-1-carboxylate
ethyl difluoroacetate
Conditions | Yield |
---|---|
With potassium tert-butylate In benzene at 0 - 20℃; for 5h; Inert atmosphere; | 98% |
With potassium tert-butylate In benzene at 0 - 20℃; for 5h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
In dichloromethane for 16h; Reflux; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
In dichloromethane for 16h; Reflux; Inert atmosphere; | 98% |
ethyl difluoroacetate
5-acetyl-6-hydroxy-4,7-dimethoxybenzofuran
7-(difluoromethyl)-7-hydroxy-4,9-dimethoxy-6,7-dihydro-5H-furo[3,2-g]chromen-5-one
Conditions | Yield |
---|---|
With lithium hydride In tetrahydrofuran Heating; | 97% |
ethyl difluoroacetate
Diethyl methylphosphonate
diethyl (3,3-difluoro-2-oxopropyl)phosphonate
Conditions | Yield |
---|---|
Stage #1: Diethyl methylphosphonate With n-butyllithium In tetrahydrofuran; hexane at -95℃; for 1h; Inert atmosphere; Stage #2: ethyl difluoroacetate In tetrahydrofuran; hexane at -95 - -90℃; for 1h; Inert atmosphere; | 97% |
Stage #1: Diethyl methylphosphonate With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Stage #2: ethyl difluoroacetate In tetrahydrofuran at -78 - 0℃; Further stages.; | 82% |
With n-butyllithium In tetrahydrofuran; hexane at -78 - -65℃; for 3h; |
Conditions | Yield |
---|---|
With ammonia In ethanol at 0 - 25℃; for 2.5h; | 96% |
With ammonia |
ethyl difluoroacetate
1-(3-fluoro-4-methoxyphenyl)ethanone
4,4-difluoro-1-(3-fluoro-4-methoxyohenyl)-butane-1,3-dione
Conditions | Yield |
---|---|
With hydrogenchloride; sodium methylate In tert-butyl methyl ether | 96% |
With hydrogenchloride; sodium methylate In tert-butyl methyl ether | 96% |
With hydrogenchloride; sodium methylate In tert-butyl methyl ether | 96% |
formic acid
ethyl difluoroacetate
A
Difluoroacetic acid
B
formic acid ethyl ester
Conditions | Yield |
---|---|
sulfuric acid at 70℃; Product distribution / selectivity; | A 96% B n/a |
Conditions | Yield |
---|---|
Stage #1: ethyl acetate With sodium ethanolate at 25℃; Stage #2: ethyl difluoroacetate at 10 - 65℃; Stage #3: With sulfuric acid; water at 20 - 25℃; for 0.333333h; Product distribution / selectivity; | 95.5% |
With multielement hydrotalcite at 55℃; for 8h; Catalytic behavior; Temperature; Reagent/catalyst; Green chemistry; | 88.9% |
With lithium diisopropyl amide In diethyl ether at -70℃; for 4h; | 82% |
ethyl difluoroacetate
phenylacetylene
1,1-difluoro-4-phenyl-3-butyn-2-one
Conditions | Yield |
---|---|
Stage #1: phenylacetylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 3h; Inert atmosphere; Stage #2: ethyl difluoroacetate With boron trifluoride diethyl etherate In tetrahydrofuran; hexane at -78℃; for 2h; Inert atmosphere; | 95% |
With n-butyllithium; boron trifluoride diethyl etherate 1.) THF, -78 deg C, 30 min, 2.) -78 deg C, 90 min; Yield given. Multistep reaction; | |
With n-butyllithium; boron trifluoride diethyl etherate 1.) hexane, THF, -78 deg C, 30 min, 2.) THF, hexane, -78 deg C, 1.5 h; Yield given. Multistep reaction; | |
With n-butyllithium; boron trifluoride diethyl etherate |
benzoimidazole
ethyl difluoroacetate
1-(difluoromethyl)-1H-benzo[d]imidazole
Conditions | Yield |
---|---|
With potassium hydroxide In acetonitrile at 60℃; for 6h; Concentration; Solvent; Temperature; Sealed tube; | 95% |
Conditions | Yield |
---|---|
With hydrogen at 110℃; under 3750.38 - 15001.5 Torr; for 4h; Temperature; Pressure; Autoclave; | 93.3% |
With C39H53ClN2P2Ru; potassium methanolate; hydrogen In tetrahydrofuran at 20℃; under 38002.6 Torr; for 16h; Glovebox; Autoclave; | 93% |
With lithium aluminium tetrahydride In tetrahydrofuran at -10℃; for 1h; | 44.6% |
ethyl difluoroacetate
1-(2-anilinophenyl)ethan-1-one
2-(difluoromethyl)-1-phenylquinolin-4(1H)-one
Conditions | Yield |
---|---|
With lithium hydride In tetrahydrofuran for 1h; Heating; | 93% |
ethyl difluoroacetate
4'-benzyloxy-acetophenone
Conditions | Yield |
---|---|
With sodium methylate In methanol | 93% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium methylate | 93% |
With hydrogenchloride; sodium methylate | 93% |
Conditions | Yield |
---|---|
With dmap In methanol at 20℃; for 12h; | 92.8% |
IUPAC Name: Ethyl 2,2-difluoroacetate
Following is the structure of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9):
Molecular Formula: C4H6F2O2
Molecular Weight: 124.09g/mol
Mol File: 454-31-9.mol
EINECS: 207-223-4
Flash Point: 1.1 °C
Density: 1.135 g/cm3
Refractive index: 1.3465-1.3485
Surface Tension: 20.4 dyne/cm
Boiling point: 76 °C at 760 mmHg
Enthalpy of Vaporization: 31.71 kJ/mol
Vapour Pressure: 103 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Acceptor: 4
Molar Refractivity: 22.64 cm3
Molar Volume: 109.3 cm3
Appearance of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9): Colorless to light brown clear liquid
Product Categories of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9): Pharmaceutical Intermediates; Fluoro-Aliphatics ; Organic Fluorides; Fluorochemicals; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C2 to C5; Carbonyl Compounds; Esters
Canonical SMILES: CCOC(=O)C(F)F
InChI: InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N
Safety Information of Aceticacid, 2,2-difluoro-, ethyl ester (CAS NO.454-31-9):
Hazard Codes: C,F,T,Xi
Risk Statements: 34-10
10: Flammable
34: Causes burns
Safety Statements: 45-36/37/39-26-16-27
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: 1992
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III
Aceticacid, 2,2-difluoro-, ethyl ester , its CAS NO. is 454-31-9, the synonyms are Ethyl difluoroacetate ; and Acetic acid, difluoro-, ethyl ester .
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