aminopropane diethyl acetal
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
With 2-hydroxynitrobenzene; strontium chloride; sodium sulfite In acetonitrile at 135℃; for 9h; Temperature; Time; | 83% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid | 74% |
With perchloric acid In ethanol for 0.5h; | 60% |
With toluene-4-sulfonic acid In ethanol | 48% |
A
styrene
B
acrylaldehyde diethyl acetal
C
α-phenylallyl ethyl ether
Conditions | Yield |
---|---|
1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In tetrahydrofuran at 0℃; for 3h; | A 11% B 55% C 11% |
3-chloro-1,1-diethoxy-propane
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
With potassium hydroxide | |
With alkali | |
With potassium tert-butylate | |
With alkali Darst.; |
3-butoxy-propionaldehyde diethylacetal
A
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
analog der Verbindung /BRN= 1738268/;ensteht ein Gemisch der Stereoisomeren; |
Conditions | Yield |
---|---|
With alkaline solution | |
With potassium tert-butylate In tert-butyl alcohol |
ethanol
acrolein
A
1,1,3-Triethoxy-propane
B
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
With dichloromethane; ammonium chloride |
Conditions | Yield |
---|---|
With aluminum oxide; silica gel; zirconium(IV) oxide | |
With toluene-4-sulfonic acid; Petroleum ether | |
With toluene-4-sulfonic acid |
ethanol
(1R,2R)-1-Bromo-2-ethoxy-cyclopropane
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
With potassium carbonate Heating; Yield given; |
quinoline
1,1,3-Triethoxy-propane
A
acrylaldehyde diethyl acetal
B
ethanol
Conditions | Yield |
---|---|
at 260 - 450℃; Pyrolyse des Dampfes.Pyrolysis; |
quinoline
1,1,3-Triethoxy-propane
diisopropyl sulfate
A
acrylaldehyde diethyl acetal
B
ethanol
Conditions | Yield |
---|---|
at 260 - 450℃; Pyrolyse des Dampfes.Pyrolysis; |
1,1,3-Triethoxy-propane
sulfuric acid
A
acrylaldehyde diethyl acetal
B
ethanol
pyridine
1,1,3-Triethoxy-propane
dimethyl sulfate
A
acrylaldehyde diethyl acetal
B
ethanol
Conditions | Yield |
---|---|
at 260 - 450℃; Pyrolyse des Dampfes.Pyrolysis; |
Conditions | Yield |
---|---|
With quinoline; diisopropyl sulfate at 350℃; |
Conditions | Yield |
---|---|
With carbon dioxide Electrolysis; |
ethanol
3,3-dichloropropene
sodium ethanolate
A
acrylaldehyde diethyl acetal
quinoline
diisopropyl sulfate
3-butoxy-propionaldehyde diethylacetal
A
acrylaldehyde diethyl acetal
B
ethanol
C
butan-1-ol
Conditions | Yield |
---|---|
at 350℃; Pyrolyse des Dampfes.Pyrolysis; |
A
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
Electrolysis; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Br2 / CHCl3 2: KOtBu / 2-methyl-propan-2-ol View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: diethyl ether 2: Br2 / CHCl3 3: KOtBu / 2-methyl-propan-2-ol View Scheme |
acrylaldehyde diethyl acetal
bromobenzene-d5
1-ethoxy-3-[2H5]phenylprop-1-ene
Conditions | Yield |
---|---|
Stage #1: bromobenzene-d5 With iodine; magnesium In tetrahydrofuran for 4h; Heating; Stage #2: With copper(I) bromide In tetrahydrofuran Stage #3: acrylaldehyde diethyl acetal In tetrahydrofuran | 100% |
Stage #1: bromobenzene-d5 With magnesium; copper(I) bromide In tetrahydrofuran Stage #2: acrylaldehyde diethyl acetal In tetrahydrofuran Further stages.; | 100% |
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
With [Rh(bis(dicylohexylphosphino)methane)(C6H5F)][BArF4] In acetone at 55℃; for 18h; Inert atmosphere; Sealed tube; regioselective reaction; | 99% |
acrylaldehyde diethyl acetal
allyldibutyltin chloride
1,5-hexadiene-3-ol
Conditions | Yield |
---|---|
In water at 20℃; for 0.166667h; | 98% |
acrylaldehyde diethyl acetal
4-fluoro-1-iodobenzene
ethyl 3-(4-fluorophenyl)propanoate
Conditions | Yield |
---|---|
With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 3h; | 98% |
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; 9-bora-bicyclo[3.3.1]nonane In tetrahydrofuran at 20℃; for 12h; Stage #2: tert-butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate With water; potassium carbonate; tricyclohexylphosphine; palladium diacetate In tetrahydrofuran for 13h; Suzuki-Miyaura coupling; Heating; Stage #3: With hydrogenchloride In Isopropyl acetate; water at 0℃; Further stages.; | 97% |
acrylaldehyde diethyl acetal
1-chloro-4-iodo-1,1,2,2,3,3,4,4-octafluorobutane
1-chloro-7,7-diethoxy-1,1,2,2,3,3,4,4-octafluoro-6-iodo-heptane
Conditions | Yield |
---|---|
With sodium dithionite; sodium hydrogencarbonate In water; acetonitrile at 5 - 10℃; for 2h; Addition; | 96% |
1,2,3-Benzotriazole
acrylaldehyde diethyl acetal
3-(benzotriazol-1-yl)-3-ethoxy-1-propene
Conditions | Yield |
---|---|
95% | |
In various solvent(s) at 82℃; for 2h; | 95% |
In hexane for 6h; Heating; | 87% |
acrylaldehyde diethyl acetal
(1R,2R)-1,2-dicyclohexyl-1,2-ethanediol
acrolein (R,R)-1,2-dicyclohexylethylene acetal
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In dichloromethane at 20℃; for 2h; | 95% |
acrylaldehyde diethyl acetal
4-bromobenzenecarbonitrile
3-(4-cyano-phenyl)-propionic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; 4-bromobenzenecarbonitrile With N-Methyldicyclohexylamine; tetrabutylammomium bromide In N,N-dimethyl-formamide at 120℃; for 4h; Heck reaction; Stage #2: With hydrogenchloride In water; ethyl acetate at 20℃; chemospecific reaction; | 95% |
With N-Methyldicyclohexylamine; tetrabutylammomium bromide; 4-hydroxyacetophenone oxime-derived palladacycle catalyst In N,N-dimethyl acetamide; water at 120℃; for 3h; Heck coupling; | 86% |
With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 23h; | 78% |
acrylaldehyde diethyl acetal
dithiocarbonic acid S-(1-acetylamino-2,2,2-trifluoro-ethyl) ester O-ethyl ester
dithiocarbonic acid S-(3-acetylamino-1-diethoxymethyl-4,4,4-trifluoro-butyl) ester O-ethyl ester
Conditions | Yield |
---|---|
With dilauryl peroxide In 1,2-dichloro-ethane for 1.5h; Heating; | 95% |
Stage #1: acrylaldehyde diethyl acetal; dithiocarbonic acid S-(1-acetylamino-2,2,2-trifluoro-ethyl) ester O-ethyl ester In 1,2-dichloro-ethane Reflux; Inert atmosphere; Stage #2: With dilauryl peroxide In 1,2-dichloro-ethane Reflux; Inert atmosphere; | 95% |
acrylaldehyde diethyl acetal
1-bromopyrene
3-(pyrene-1-yl)propionic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; 1-bromopyrene With trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II); sodium acetate In 1-methyl-pyrrolidin-2-one at 140℃; for 6h; Stage #2: With hydrogenchloride; water In 1-methyl-pyrrolidin-2-one | 95% |
Conditions | Yield |
---|---|
With acetic acid In acetonitrile | 95% |
acrylaldehyde diethyl acetal
1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-hexane
1-chloro-9,9-diethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-8-iodo-nonane
Conditions | Yield |
---|---|
With sodium dithionite; sodium hydrogencarbonate In water; acetonitrile at 5 - 10℃; for 2h; Addition; | 94% |
acrylaldehyde diethyl acetal
1-Fluoro-2-iodobenzene
ethyl 3-(2-fluorophenyl)propionate
Conditions | Yield |
---|---|
With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 6.5h; | 94% |
acrylaldehyde diethyl acetal
4-iodobenzoic acid ethyl ester
ethyl (E)-4-(3-oxoprop-1-en-1-yl)benzoate
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; 4-iodobenzoic acid ethyl ester With potassium carbonate; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 0.166667h; microwave irradiation; Stage #2: With hydrogenchloride In water for 0.166667h; Further stages.; | 94% |
acrylaldehyde diethyl acetal
3‐bromo‐9H‐fluorene
9-bora-bicyclo[3.3.1]nonane
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; 9-bora-bicyclo[3.3.1]nonane In tetrahydrofuran at 20℃; for 12h; Stage #2: 3‐bromo‐9H‐fluorene With 1,1'-bis-(diphenylphosphino)ferrocene; potassium carbonate; palladium diacetate In tetrahydrofuran Suzuki-Miyaura coupling; Heating; Further stages.; | 94% |
3-bromoquinoline
acrylaldehyde diethyl acetal
9-bora-bicyclo[3.3.1]nonane
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; 9-bora-bicyclo[3.3.1]nonane In tetrahydrofuran at 20℃; for 12h; Stage #2: 3-bromoquinoline With water; potassium carbonate; tricyclohexylphosphine; palladium diacetate In tetrahydrofuran for 13h; Suzuki-Miyaura coupling; Heating; Further stages.; | 93% |
acrylaldehyde diethyl acetal
bis-(phenylthio)-dibutylstannane
1-ethoxy-3-phenylthio-1-propene
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In toluene at -78℃; | 92% |
acrylaldehyde diethyl acetal
(3R,5S)-5-hydroxy-3-methyl-oct-7-enoic acid N,N-dimethylamide
(3R,5S)-5-[(1RS)-1-ethoxy-allyloxy]-3-methyl-oct-7-enoic acid N,N-dimethylamide
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 40℃; under 60.0048 Torr; | 92% |
toluene-4-sulfonic acid In toluene at 40℃; under 60.006 Torr; | 92% |
1-Chloro-4-iodobenzene
acrylaldehyde diethyl acetal
ethyl 3-(4-chlorophenyl)propanoate
Conditions | Yield |
---|---|
With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 2.5h; | 92% |
With N-Methyldicyclohexylamine; 4-hydroxyacetophenone oxime-derived palladacycle catalyst In N,N-dimethyl acetamide; water at 90℃; for 4h; Heck coupling; | 79% |
Conditions | Yield |
---|---|
With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 1h; | 92% |
acrylaldehyde diethyl acetal
1-Fluoro-3-iodobenzene
ethyl 3-(3-fluorophenyl)propanoate
Conditions | Yield |
---|---|
With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 2.5h; | 92% |
acrylaldehyde diethyl acetal
o-iodo-methyl-benzoic acid
2-(2-Ethoxycarbonyl-ethyl)-benzoic acid methyl ester
Conditions | Yield |
---|---|
With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate In N,N-dimethyl-formamide at 90℃; for 5h; | 92% |
tricarbonylcyclopentadienyltungsten(II) hydride
acrylaldehyde diethyl acetal
(C5H5)(CO)3WC2H5OCHCHCH3(1+)*B(C6H3(CF3)2)4(1-)=[(C5H5)(CO)3WC2H5OCHCHCH3]B(C6H3(CF3)2)4
Conditions | Yield |
---|---|
In toluene (Ar); stirring (-15°C, 30 min), removal of the solvent, dissolution in CH2Cl2; addn. of hexane, filtration, recrystn. (-78°C, CH2Cl2/hexane); elem. anal.; | 92% |
1-bromo-4-methoxy-benzene
acrylaldehyde diethyl acetal
4-methoxycinnamaldehyde
Conditions | Yield |
---|---|
Stage #1: 1-bromo-4-methoxy-benzene; acrylaldehyde diethyl acetal With potassium chloride; tetrabutylammonium acetate; potassium carbonate In N,N-dimethyl acetamide at 120℃; for 3h; Heck reaction; Stage #2: With hydrogenchloride In water; ethyl acetate at 20℃; chemospecific reaction; | 92% |
With palladium diacetate; triethylamine; tris-(o-tolyl)phosphine at 100℃; for 2h; |
acrylaldehyde diethyl acetal
para-nitrophenyl bromide
A
3-(4-nitrophenyl)-2-propenal
B
ethyl 3-(4-nitrophenyl)propanoate
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; para-nitrophenyl bromide With N-Methyldicyclohexylamine; tetrabutylammomium bromide In N,N-dimethyl-formamide at 120℃; for 6h; Heck reaction; Stage #2: With hydrogenchloride In water; ethyl acetate at 20℃; chemoselective reaction; | A n/a B 92% |
acrylaldehyde diethyl acetal
2-(tert-butyl)phenyl trifluoromethanesulfonate
2-(p-tert-butylphenyl)acrolein diethyl acetal
Conditions | Yield |
---|---|
With 1,1'-bis-(diphenylphosphino)ferrocene; lithium carbonate; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl acetamide at 80℃; for 41h; Mizoroki-Heck reaction; Inert atmosphere; | 92% |
acrylaldehyde diethyl acetal
phenylmethanethiol
3-benzylthiopropanal diethyl acetal
Conditions | Yield |
---|---|
With benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one In cyclohexane at 20℃; for 1h; Inert atmosphere; Sealed tube; Irradiation; | 92% |
acrylaldehyde diethyl acetal
3,3,7,7-tetra(hydroxymethyl)-5-oxanonane
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; 3,3,7,7-tetra(hydroxymethyl)-5-oxanonane With pyridinium p-toluenesulfonate In toluene for 4h; Heating / reflux; Stage #2: With potassium tert-butylate In toluene at 20℃; | 91% |
acrylaldehyde diethyl acetal
Conditions | Yield |
---|---|
Stage #1: acrylaldehyde diethyl acetal; N,N-dibenzyl-3-(2-bromophenyl)propan-1-amine With potassium chloride; tetrabutylammonium acetate; palladium diacetate; potassium carbonate In N,N-dimethyl-formamide at 90℃; for 18h; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 0℃; for 2h; | 91% |
IUPAC Name: 3,3-Diethoxyprop-1-ene
Synonyms of Acrolein diethyl acetal (CAS NO.3054-95-3): 1,1-Diethoxy-2-propene ; 1,1-Diethoxy-2-propene ; 3,3-Diethoxy-1-propene ; 3,3-Diethoxypropene ; Acrolein diethyl acetal ; Acrylaldehyde diethyl acetal ; Propenal diethyl acetal ; 1-Propene, 3,3-diethoxy- ; 1-Propene, 3,3-diethoxy- (9CI) ; Acrolein, diethyl acetal (8CI)
CAS NO: 3054-95-3
Molecular Formula: C7H14O2
Molecular Weight: 130.18
Molecular Structure:
EINECS: 221-276-0
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.409
Molar Refractivity: 37.65 cm3
Molar Volume: 152.2 cm3
Surface Tension: 23.8 dyne/cm
Density: 0.854 g/cm3
Flash Point: 22.3 °C
Enthalpy of Vaporization: 34.65 kJ/mol
Boiling Point: 123.5 °C at 760 mmHg
Vapour Pressure: 16 mmHg at 25°C
Storage temp: 2-8°C
Appearance: clear colorless liquid
SMILES: C=CC(OCC)OCC
Product Categories of Acrolein diethyl acetal (CAS NO.3054-95-3): Pharmaceutical Intermediates;pharmacetical
Acrolein diethyl acetal (CAS NO.3054-95-3) is used as an important intermediate in the pharmaceutical, dyes and organic synthesis industry.
1. | mma-sat 5 µg/plate | TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. 1 (1980),259. |
Safty informations about Acrolein diethyl acetal (CAS NO.3054-95-3):
Hazard Codes: XiF
Risk Statements:11-36
11: Highly Flammable
36: Irritating to the eyes
Safety Statements: 9-16-26-33-29-7/9
9: Keep container in a well-ventilated place
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
33: Take precautionary measures against static discharges
29: Do not empty into drains
7/9: Keep container tightly closed and in a well-ventilated place
RIDADR: UN 2374 3/PG 2
WGK Germany: 3
RTECS: AS1370000
F: 8-13
HazardClass: 3
Mutation data reported. A flammable liquid. A dangerous fire hazard when exposed to heat, flame, or oxidizers. When heated to decomposition it emits acrid smoke and fumes.
DOT Classification: 3; Label: Flammable Liquid
Handling and Storage:
Storage: Keep Acrolein diethyl acetal in a cool, dry, dark location in a tightly sealed container or cylinder. Keep it away from incompatible materials, ignition sources and untrained individuals. Protect containers/cylinders from physical damage.
Handling: All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.
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