Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere; | 97% |
With ruthenium trichloride at 40℃; for 0.5h; Inert atmosphere; Ionic liquid; | 93% |
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere; | 85% |
sodium acetate
3-Chloro-2-methylpropene
A
methallyl acetate
B
3-hydroxy-2-methyl-1-propene
Conditions | Yield |
---|---|
With sodium D-gluconate; copper(II) sulfate In water for 4h; Reagent/catalyst; Reflux; | A 92% B 5.5% |
Conditions | Yield |
---|---|
In acetic acid at 100℃; for 48h; | 85% |
In 1-methyl-pyrrolidin-2-one at 100 - 120℃; for 1.5h; | 193 g |
With copper(l) chloride In water at 70 - 94℃; | 520 g |
Conditions | Yield |
---|---|
With pyridine at 5℃; for 0.25h; | 72% |
Conditions | Yield |
---|---|
With acetic acid |
Conditions | Yield |
---|---|
durch langsame Destillation; |
2-methyl-5-methylene-[1,3]dioxane
methallyl acetate
Conditions | Yield |
---|---|
at 550℃; for 45h; |
Conditions | Yield |
---|---|
With palladium diacetate |
Conditions | Yield |
---|---|
With trimethylamine |
Conditions | Yield |
---|---|
With calcium carbonate In 1,4-dioxane at 85 - 110℃; Yield given; | |
With calcium carbonate In 1,4-dioxane at 85 - 110℃; Yields of byproduct given; |
acetic acid
Methylcyclopropen
A
methallyl acetate
B
3-Chloro-2-methylpropene
Conditions | Yield |
---|---|
With hydrogenchloride at 0℃; |
Conditions | Yield |
---|---|
With hydrogenchloride In acetic acid at 0℃; Product distribution; var. concentration of HCl and reaction times, other substituted cyclopropene; | |
With hydrogenchloride In acetic acid at 0℃; |
methallyl acetate
Conditions | Yield |
---|---|
With hydrogen; nickel at 175℃; under 51485.6 Torr; |
Conditions | Yield |
---|---|
at 150℃; |
2-methylpropenal
diethylzinc
acetic anhydride
A
methallyl acetate
Conditions | Yield |
---|---|
Stage #1: 2-methylpropenal; diethylzinc With (1R,2S)-(+)-1-cyclohexyl-2-phenyl-2-(N-morpholino)ethanol In hexane; toluene at 20℃; for 3h; Stage #2: acetic anhydride In hexane; toluene Further stages. Title compound not separated from byproducts.; |
(acetoxymethyl)cyclopropane
methallyl acetate
Conditions | Yield |
---|---|
Wilkinson's catalyst In toluene at 130℃; for 55h; |
Conditions | Yield |
---|---|
With lipase PS-D at 25℃; for 24h; |
Conditions | Yield |
---|---|
In 1-methyl-pyrrolidin-2-one at 120℃; for 0.5h; Heating / reflux; |
Triethyl orthoacetate
3-hydroxy-2-methyl-1-propene
A
methallyl acetate
B
ethyl 4-methyl-4-pentenoate
C
4-methyl-pent-4-enoic acid methallyl ester
Conditions | Yield |
---|---|
With acetic acid at 218℃; under 18751.9 Torr; for 0.0333333h; Temperature; Johnson-Claisen Rearrangement; Microwave irradiation; Flow reactor; | A 12 %Spectr. B 76 %Spectr. C 11 %Spectr. |
acetic acid
isobutene
A
methallyl acetate
B
1,3-diacetoxy-2-methylenepropane
Conditions | Yield |
---|---|
With oxygen at 160℃; under 12001.2 Torr; Temperature; Inert atmosphere; |
methallyl acetate
ethyl acetoacetate
ethyl 2-acetyl-4-methylpent-4-enoate
Conditions | Yield |
---|---|
With isopropylmagnesium chloride; sodium hydride; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran at 160℃; for 72h; Product distribution; other temp./react. time; | 100% |
With isopropylmagnesium chloride; sodium hydride; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran at 160℃; for 72h; | 100% |
With potassium carbonate In tetrahydrofuran at 70℃; for 50h; Tsuji-Trost Allylation; | 63% |
methallyl acetate
malonic acid dimethyl ester
dimethyl 2,2-di(2-methylallyl)malonate
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0); N,O-bis-(trimethylsilyl)-acetamide; 1,3-bis-(diphenylphosphino)propane In tetrahydrofuran at 20℃; for 2h; | 100% |
methallyl acetate
N-4-chlorophenylhydrazine
A
3-(4-chlorophenyl)-2-hydroperoxy-2-methylpropyl acetate
B
1-(4-chlorophenyl)propan-2-one
Conditions | Yield |
---|---|
With manganese(IV) oxide; acetic acid In acetonitrile at 23℃; for 1h; | A n/a B 100% |
methallyl acetate
4-hydrazinobenzonitrile
A
4-(2-oxopropyl)benzonitrile
B
3-(4-cyanophenyl)-2-hydroperoxy-2-methylpropyl acetate
Conditions | Yield |
---|---|
With manganese(IV) oxide; acetic acid In acetonitrile at 23℃; for 1h; | A 100% B n/a |
Conditions | Yield |
---|---|
With trimethylsilylazide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 100℃; for 24h; cyclocondensation; | 99% |
Conditions | Yield |
---|---|
Stage #1: methallyl acetate With tetrakis(triphenylphosphine) palladium(0); triphenylphosphine In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Reflux; Stage #2: diethyl malonate With sodium hydride In tetrahydrofuran for 24h; Inert atmosphere; Reflux; Stage #3: With sodium chloride In water; dimethyl sulfoxide at 180 - 200℃; for 48h; | 99% |
methallyl acetate
malonic acid dimethyl ester
A
dimethyl (2-methyl-2-propenyl)-propanedioate
B
dimethyl 2,2-di(2-methylallyl)malonate
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0); N,O-bis-(trimethylsilyl)-acetamide; N,N'-bis(diphenylphosphino)-N,N'-dimethylethane-1,2-diamine In tetrahydrofuran at 20℃; for 0.316667h; Title compound not separated from byproducts; | A 98.7% B 1.3% |
Conditions | Yield |
---|---|
With peracetic acid; palladium diacetate; acetic acid at 60℃; for 0.0833333h; Green chemistry; | 96% |
1-methyl-pyrrolidin-2-one
2-chloro-3-butene
methallyl acetate
4-Chlorobutanoyl chloride
Conditions | Yield |
---|---|
With sodium acetate; aluminium trichloride In dichloromethane; benzene | 95.6% |
With sodium acetate; aluminium trichloride In dichloromethane; benzene | 95.6% |
methallyl acetate
butyl ester of α-nitropropionic acid
butyl 2,4-dimethyl-2-nitro-4-pentenoate
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 6h; | 94.4% |
1-bromo-4-methoxy-benzene
methallyl acetate
1-methoxy-4-(2-methylallyl)benzene
Conditions | Yield |
---|---|
With pyridine; nickel(II) iodide; 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine; tetrabutylammomium bromide; magnesium chloride; zinc In N,N-dimethyl acetamide at 60℃; for 12h; Schlenk technique; Inert atmosphere; regioselective reaction; | 94% |
Stage #1: 1-bromo-4-methoxy-benzene With magnesium; lithium chloride In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Stage #2: With iron(III)-acetylacetonate In tetrahydrofuran for 0.0833333h; Inert atmosphere; Stage #3: methallyl acetate In tetrahydrofuran at 0℃; for 0.75h; Inert atmosphere; |
4‐hydroxycoumarin
methallyl acetate
2,2-dimethyl-2,3-dihydrofuro[3,2-c]chromen-4-one
Conditions | Yield |
---|---|
With indium(III) triflate In nitromethane for 17h; Solvent; Schlenk technique; Inert atmosphere; Reflux; | 94% |
Conditions | Yield |
---|---|
Pd(OAc)2 + tppts In water; acetonitrile at 45℃; for 10h; | A 92% B 8% |
nitroacetic acid ethyl ester
methallyl acetate
ethyl 2,2-bis(2-methylallyl)-2-nitroacetate
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 50℃; for 8h; | 92% |
methallyl acetate
4-fluorobenzenediazonium tetrafluoroborate
acetic acid 3-(4-fluorophenyl)-2-(4-fluorophenylazo)-2-methylpropyl ester
Conditions | Yield |
---|---|
With ferrous(II) sulfate heptahydrate In water; dimethyl sulfoxide at 20℃; for 0.333333h; Inert atmosphere; | 91% |
With ferrous(II) sulfate heptahydrate In water; dimethyl sulfoxide Inert atmosphere; | 62% |
With ferrous(II) sulfate heptahydrate In water; dimethyl sulfoxide for 0.25h; Inert atmosphere; | 62% |
Conditions | Yield |
---|---|
With iron(III) chloride; iron In N,N-dimethyl-formamide at 100℃; for 24h; | 90% |
Conditions | Yield |
---|---|
With potassium tert-butylate; sodium carbonate; Candida antarctica lipase B; chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl) ruthenium (II) In toluene at 20 - 70℃; for 12 - 30h; Product distribution / selectivity; | 90% |
With potassium tert-butylate; sodium carbonate; Candida antarctica lipase B; N-isopropylamino-2,3,4,5-tetraphenylcyclopentadienyl ruthenium dicarbonyl hydride In toluene at 20℃; for 30h; Product distribution / selectivity; | 88% |
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)); C40H41FeN2O3P; lithium chloride; lithium hexamethyldisilazane In tetrahydrofuran at 20℃; optical yield given as %ee; enantioselective reaction; | 90% |
Conditions | Yield |
---|---|
With aluminum (III) chloride; propylene glycol In acetic acid methyl ester at 0 - 5℃; | 89.7% |
With aluminium trichloride at 0 - 10℃; for 1h; | 193 g |
With aluminum (III) chloride at 0 - 3℃; for 0.5h; |
nitroacetic acid ethyl ester
methallyl acetate
A
ethyl (4-methyl-2-nitro) pent-4-enoate
B
ethyl 2,2-bis(2-methylallyl)-2-nitroacetate
Conditions | Yield |
---|---|
With triethylamine; Pd(OAc)2 + tppts In water; acetonitrile at 25℃; for 10h; | A 88% B 12% |
methallyl acetate
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium carbonate; (1R,2R)-1,2-bis[(2-diphenylphosphanyl)benzoylamino]cyclohexane In tetrahydrofuran at 0℃; Inert atmosphere; enantioselective reaction; | 88% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; | 87% |
With tetrakis(triphenylphosphine) palladium(0) In toluene at 25℃; for 1h; Inert atmosphere; |
Conditions | Yield |
---|---|
With pyridine; nickel(II) iodide; 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)pyridine; tetrabutylammomium bromide; magnesium chloride; zinc In N,N-dimethyl acetamide at 60℃; for 12h; Schlenk technique; Inert atmosphere; regioselective reaction; | 86% |
methallyl acetate
tert-butyl glycolate
Conditions | Yield |
---|---|
Stage #1: tert-butyl glycolate With lithium diisopropyl amide In tetrahydrofuran; hexane at -78 - 20℃; for 0.666667h; Inert atmosphere; Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -78 - 20℃; for 0.666667h; Inert atmosphere; Stage #3: methallyl acetate With (2-methylallyl)palladium-chloride dimer; triphenylphosphine In tetrahydrofuran; hexane at -78 - 20℃; for 16h; Inert atmosphere; | 86% |
methallyl acetate
2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
dimethyl zinc(II)
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0) In 2-methyltetrahydrofuran; n-heptane at -40 - 0℃; for 24h; Inert atmosphere; regioselective reaction; | 86% |
methallyl acetate
N,N-diphenylpropionamide
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)); C40H41FeN2O3P; lithium chloride; lithium hexamethyldisilazane In tetrahydrofuran at 20℃; optical yield given as %ee; enantioselective reaction; | 85% |
Conditions | Yield |
---|---|
With manganese; chloro-trimethyl-silane; 4,4'-di-tert-butyl-2,2'-bipyridine; nickel dibromide In N,N-dimethyl-formamide at 25℃; Inert atmosphere; Schlenk technique; diastereoselective reaction; | 85% |
The Methallyl acetate with the CAS number 820-71-3 is also called 2-Propen-1-ol,2-methyl-, 1-acetate. The IUPAC name is 2-methylprop-2-enyl acetate. Its molecular formula is C6H10O2. The EINECS registry number is 212-471-1. The product category is Monomer.
The properties of the Methallyl acetate are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.81; (6)ACD/BCF (pH 7.4): 8.81; (7)ACD/KOC (pH 5.5): 165.25; (8)ACD/KOC (pH 7.4): 165.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 31.18 cm3; (15)Molar Volume: 125.9 cm3; (16)Polarizability: 12.36×10-24cm3; (17)Surface Tension: 24.6 dyne/cm; (18)Enthalpy of Vaporization: 36.01 kJ/mol; (19)Vapour Pressure: 14.2 mmHg at 25°C.
Uses: This chemical can react with butyraldehyde to prepare 1-acetoxy-2-methyl-heptan-4-one. This reaction needs reagent (PhCO)2O2 at heating condition.
While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=C)\C)C
(2)InChI: InChI=1/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
(3)InChIKey: IVKYUXHYUAMPMT-UHFFFAOYAK
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