methanol
acrolein
A
3,3-dimethoxyprop-1-ene
B
acrylic acid methyl ester
Conditions | Yield |
---|---|
With oxygen; Pd5-Bi2-Fe1/(100)SiO2-MgO for 4h; | A n/a B 91.5% |
methanol
allyl n-butyl ether
A
3,3-dimethoxyprop-1-ene
B
3-n-butyloxy-3-methoxy-1-propene
Conditions | Yield |
---|---|
With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate at 40℃; electrochem. oxidation; | A 25% B 37% |
methanol
Allyl ether
A
3,3-dimethoxyprop-1-ene
B
3-allyloxy-3-methoxy-1-propene
Conditions | Yield |
---|---|
With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate at 40℃; electrochem. oxidation; | A 9% B 35% |
With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate at 40℃; electrochem. oxidation; | A 9% B 35% |
3-chloropropionaldehyde dimethyl acetal
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With potassium hydroxide |
3-bromopropanal dimethyl acetal
sodium methylate
3,3-dimethoxyprop-1-ene
1,1,3-trimethoxypropane
A
3,3-dimethoxyprop-1-ene
B
dimethoxypropene
Conditions | Yield |
---|---|
With quinoline; diisopropyl sulfate at 350℃; | |
With quinoline; diisopropyl sulfate at 350℃; entsteht ein Gemisch der stereoisomeren; |
3-bromopropanal dimethyl acetal
sodium acetate
acetic acid
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; Petroleum ether | |
With copper dichloride |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In diethyl ether Heating; |
Conditions | Yield |
---|---|
With ammonium nitrate In methanol | |
With ammonium nitrate In methanol for 5h; Ambient temperature; | |
With ammonium nitrite In methanol for 8h; Heating; |
hydrogenchloride
methanol
acrolein
A
3,3-dimethoxyprop-1-ene
B
3-methoxy-1-propanal
Conditions | Yield |
---|---|
at 25 - 40℃; Kinetics; |
3-chloropropionaldehyde dimethyl acetal
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
beim Destillieren; |
quinoline
diisopropyl sulfate
1,1,3-trimethoxypropane
A
methanol
B
3,3-dimethoxyprop-1-ene
C
acrolein
Conditions | Yield |
---|---|
at 350℃; Pyrolyse des Dampfes.Pyrolysis; |
1,1,3-trimethoxypropane
A
methanol
B
3,3-dimethoxyprop-1-ene
C
acrolein
Conditions | Yield |
---|---|
at 228℃; Pyrolyse des Dampfes.Pyrolysis; |
Conditions | Yield |
---|---|
With hydroquinone In methanol |
3,3-dimethoxyprop-1-ene
1-[(4-chlorophenyl)methylene]-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-ide
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 98% |
Conditions | Yield |
---|---|
With Hoveyda-Grubbs catalyst second generation In dichloromethane at 20℃; for 5h; Cross Metathesis; Inert atmosphere; chemoselective reaction; | 97% |
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 20℃; for 5h; Inert atmosphere; | 97% |
With Hoveyda-Grubbs catalyst second generation In dichloromethane at 20℃; for 5h; Inert atmosphere; |
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 96% |
3,3-dimethoxyprop-1-ene
bis-(phenylthio)-dibutylstannane
(E,Z)-1-methoxy-3-phenylthio-1-propene
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In toluene at -78℃; for 0.5h; | 93% |
3,3-dimethoxyprop-1-ene
1-benzylidene-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-ide
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Catalytic behavior; Mechanism; Kinetics; Solvent; Reagent/catalyst; Sealed tube; regioselective reaction; | 93% |
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 93% |
3,3-dimethoxyprop-1-ene
1-benzylidene-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-ide
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Catalytic behavior; Reagent/catalyst; | 93% |
3,3-dimethoxyprop-1-ene
benzyl chloroformate
((E)-3-methyloxy-allyl)-carbamic acid benzyl ester
Conditions | Yield |
---|---|
Stage #1: 3,3-dimethoxyprop-1-ene In benzene-d6 at 23℃; Stage #2: benzyl chloroformate With potassium carbonate In tetrahydrofuran; benzene-d6 at 23℃; for 12h; Further stages.; | 92% |
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 92% |
3,3-dimethoxyprop-1-ene
(1R,2S)-1-phenyl-2-benzyloxycarbonylamino-1-propanol
(2S,4S,5R)-4-Methyl-5-phenyl-2-vinyl-oxazolidine-3-carboxylic acid benzyl ester
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In benzene for 5h; Heating; | 91% |
3,3-dimethoxyprop-1-ene
phosphorous acid trimethyl ester
dimethyl (1-methoxyprop-2-enyl)phosphonate
Conditions | Yield |
---|---|
Stage #1: 3,3-dimethoxyprop-1-ene With phosphorus trichloride for 0.25h; Inert atmosphere; Cooling; Stage #2: phosphorous acid trimethyl ester at 20℃; for 1h; Inert atmosphere; Cooling; | 91% |
With phosphorus trichloride In toluene for 3h; Ambient temperature; | 82% |
3,3-dimethoxyprop-1-ene
(1Z)-5,5-dimethyl-1-[(4-nitrophenyl)methylidene]-3-oxopyrazolidin-1-ium-2-ide
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 91% |
3,3-dimethoxyprop-1-ene
(1S,2R)-(+)-2-chloro-N-(2-hydroxy-1-methyl-2-phenylethyl)acetamide
2-Chloro-1-((2S,4S,5R)-4-methyl-5-phenyl-2-vinyl-oxazolidin-3-yl)-ethanone
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In benzene for 10h; Heating; | 90% |
Conditions | Yield |
---|---|
With benzo[1,3,2]dioxaborole In benzene Ambient temperature; | 88% |
3,3-dimethoxyprop-1-ene
1-[(4-bromophenyl)methylene]-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-ide
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 88% |
3,3-dimethoxyprop-1-ene
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-phenyltetrahydro-2H-pyran-3,4,5-triol
(R)-4,6-O-prop-2-enylidene-β-D-glucopyranosylbenzene
Conditions | Yield |
---|---|
With camphor-10-sulfonic acid In N,N-dimethyl-formamide at 25℃; for 24h; | 87% |
3,3-dimethoxyprop-1-ene
ethyl 2-deoxy-2-phthalimido-1-thio-β-D-glucopyranoside
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In N,N-dimethyl-formamide for 1.5h; | 86% |
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 86% |
Conditions | Yield |
---|---|
With (1S)-10-camphorsulfonic acid In dichloromethane at 20℃; for 3.5h; Temperature; Reagent/catalyst; | 85.1% |
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In benzene for 10h; Heating; | 85% |
3,3-dimethoxyprop-1-ene
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
2-(3,3-dimethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Conditions | Yield |
---|---|
With Wilkinson's catalyst In dichloromethane for 24h; | 85% |
tris(triphenylphosphine)rhodium(I) chloride In dichloromethane stirred for 1 d; fractionated; elem. anal.; | 85% |
With Wilkinson's catalyst In dichloromethane at 20℃; Addition; hydroboration; | 75% |
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; bis-diphenylphosphinomethane In dichloromethane at 20℃; for 18h; Inert atmosphere; Sealed tube; | 29% |
morpholine
2-bromobutene
3,3-dimethoxyprop-1-ene
4-((E)-2-Ethyl-5,5-dimethoxy-pent-2-enyl)-morpholine
Conditions | Yield |
---|---|
palladium diacetate at 125℃; for 48h; | 84% |
3,3-dimethoxyprop-1-ene
(-)-N-cyanomethylphenylglycinol
(-)-(2R,4R)-2-(methoxyethyl)-N-cyanomethyl-4-phenyl-1,3-oxazolidine
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In benzene for 1h; Heating; | 83% |
3,3-dimethoxyprop-1-ene
1,5-anhydro-D-glucitol
1,5-anhydro-(R)-4,6-O-prop-2-enylidene-D-glucitol
Conditions | Yield |
---|---|
With camphor-10-sulfonic acid In N,N-dimethyl-formamide at 25℃; for 24h; | 83% |
3,3-dimethoxyprop-1-ene
norefedrine α-chloropropionamide
A
2-Chloro-1-((2S,4S,5R)-4-methyl-5-phenyl-2-vinyl-oxazolidin-3-yl)-propan-1-one
B
2-Chloro-1-((2R,4S,5R)-4-methyl-5-phenyl-2-vinyl-oxazolidin-3-yl)-propan-1-one
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In benzene for 14h; Heating; | A 82.8% B 7.2% |
With pyridinium p-toluenesulfonate In benzene Heating; 4 Angstroem mol. sieves; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
3,3-dimethoxyprop-1-ene
1-nitrohexane
5-Dimethoxymethyl-3-pentyl-4,5-dihydro-isoxazole
Conditions | Yield |
---|---|
82% |
3,3-dimethoxyprop-1-ene
N-allyl-N-hydroxybenzamide
N-allyl-N-(1-methoxy-allyloxy)-benzamide
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In benzene at 80℃; | 82% |
(Z)-5,5-dimethyl-1-(4-methylphenylmethylidene)-3-oxopyrazolidin-1-ium-2-ide
3,3-dimethoxyprop-1-ene
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; lithium acetate at 40℃; for 12h; Sealed tube; regioselective reaction; | 82% |
Conditions | Yield |
---|---|
Stage #1: 3-Phenylpropenol With C20H17ClPdSe2; water; toluene-4-sulfonic acid; bis(pinacol)diborane In methanol; dimethyl sulfoxide at 50℃; for 16h; Stage #2: 3,3-dimethoxyprop-1-ene In methanol; dimethyl sulfoxide at 50℃; for 20h; | 81% |
IUPAC Name: 3,3-Dimethoxyprop-1-ene
Synonyms of Acrolein dimethyl acetal (CAS NO.6044-68-4): 1-Propene, 3,3-dimethoxy- ; 1-Propene, 3,3-dimethoxy- ; 3,3-Dimethoxypropene
CAS NO: 6044-68-4
The Molecular formula: C5H10O2
The Molecular Weight: 102.13
Molecular Structure:
EINECS:227-936-4
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.391
Molar Refractivity: 28.38 cm3
Molar Volume: 119.2 cm3
Surface Tension: 21.4 dyne/cm
Density: 0.856 g/cm3
Flash Point: 27 °F
Enthalpy of Vaporization: 31.59 kJ/mol
Boiling Point: 89.5 °C at 760 mmHg
Vapour Pressure: 66 mmHg at 25°C
Storage temp: 2-8°C
Appearance: Colorless clear liquid
Product Categories of Acrolein dimethyl acetal (CAS NO.6044-68-4): Pharmaceutical Intermediates
SMILES: C=CC(OC)OC
InChI: InChI=1/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
InChIKey: OBWGMYALGNDUNM-UHFFFAOYAG
Std. InChI: InChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
Std. InChIKey: OBWGMYALGNDUNM-UHFFFAOYSA-N
Acrolein dimethyl acetal (CAS NO.6044-68-4) is used as a pharmaceutical intermediate.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX03553, |
Safty informations about Acrolein dimethyl acetal (CAS NO.6044-68-4):
Hazard Codes: F
Risk Statements: 11
R11: Highly flammable.
Safety Statements: 16-23-24/25-29-33
S16: Keep away from sources of ignition.
S23: Do not breathe vapour.
S24/25: Avoid contact with skin and eyes.
S29: Do not empty into drains.
S33: Take precautionary measures against static discharges.
RIDADR: UN 3384 6.1/PG 1
WGK Germany: 3
RTECS: UC8500000
HazardClass: 3.1
PackingGroup: II
A very dangerous fire hazard when exposed to heat, flame oxidizers. May form dangerous peroxides upon exposure to air. When heated to decomposition it emits acrid smoke and fumes. See also ALLYL COMPOUNDS.
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