Conditions | Yield |
---|---|
With quinoline; hydrogen; Lindlar's catalyst In Petroleum ether at 20℃; for 10h; | 99% |
With pyridine; hydrogen In methanol at 59.84℃; Kinetics; Temperature; Reagent/catalyst; Concentration; Time; Capillary microreactor; chemoselective reaction; | 99.9% |
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760.051 Torr; | 98% |
Conditions | Yield |
---|---|
Stage #1: isoprene With hydrogenchloride at 1℃; for 3h; Stage #2: With sodium hydroxide In cyclohexane at 70℃; for 1.58333h; Temperature; | A 99.75% B 98% |
Conditions | Yield |
---|---|
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics; | A n/a B 98% |
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.3h; Product distribution; Ambient temperature; various time; | A 2% B 91% |
With hydrogen; nickel dihydroxide; Ni(C17H35COO)2 In toluene at 40℃; Product distribution; Kinetics; other catalyst. Object of study: selectivity; | A 41.6% B 85.5% |
Conditions | Yield |
---|---|
Stage #1: 3-chloro-3-methyl-1-butene With sodium formate; copper(II) sulfate; erythorbic acid sodium salt In water for 5h; Reflux; Stage #2: With sodium hydroxide In water at 90℃; for 2h; Reagent/catalyst; | 97% |
With sodium hydrogencarbonate at 45℃; | |
Multi-step reaction with 2 steps 1: 20 °C / bei 3 Monate langem Stehenlassen 2: NaHCO3 / 50 °C View Scheme | |
Multi-step reaction with 2 steps 1: 0 °C 2: NaHCO3 / 50 °C View Scheme |
Conditions | Yield |
---|---|
In diethyl ether at -78℃; for 0.166667h; | 90% |
In diethyl ether at -78℃; | 90% |
In diethyl ether at -78℃; for 0.166667h; Inert atmosphere; Schlenk technique; | 88% |
Conditions | Yield |
---|---|
With silica-supported monomeric vanadium-oxo species In acetonitrile at 40℃; for 4h; Inert atmosphere; | 76% |
With acide perchlorique In water-d2 at 34℃; Product distribution; | |
With sulfuric acid |
2-methyl-but-2-ene
A
2-(oxiran-2-yl)propan-2-ol
B
1-(2-methyl-oxiranyl)-ethanol
C
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
With titanium(IV) isopropylate; oxygen; 5,15,10,20-tetraphenylporphyrin In dichloromethane at 0℃; Irradiation; | A 47% B 38% C 3% |
2-methyl-2-pentene
A
α,α,3-Trimethyloxiranemethanol
B
2-methyl-3-buten-2-ol
C
2-methylpent-1-en-3-ol
D
1-(2-Methyl-oxiranyl)-propan-1-ol
Conditions | Yield |
---|---|
With titanium(IV) isopropylate; oxygen; 5,15,10,20-tetraphenylporphyrin In dichloromethane at 0℃; Irradiation; | A 42% B 3% C 3% D 28% |
Conditions | Yield |
---|---|
30% | |
With hydrogenchloride; acetic acid Behandeln des Reaktionsprodukts mit Calciumcarbonat und Wasser; | |
Multi-step reaction with 2 steps 1: hydrogen bromide / Endprodukt ist 4-Brom-2-methyl-buten-(2) 2: natrium carbonate View Scheme | |
10% phosphoric acid on silica at 25℃; for 12h; Product distribution / selectivity; Gas phase; Sealed vial; |
Conditions | Yield |
---|---|
29% |
formaldehyd
isobutene
A
4,4-dimethyl-1,3-dioxane
B
4-methyl-3,6-dihydro-2H-pyran
C
2-methyl-1-buten-4-ol
D
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
With sulfuric acid In nitromethane at 30℃; for 0.333333h; Mechanism; | A 8.16% B n/a C 1.79% D 2.5% |
Conditions | Yield |
---|---|
With sulfuric acid |
3-chloro-3-methyl-1-butene
sodium formate
A
2-methyl-3-buten-2-ol
B
3-methyl-2-buten-1-ol
Conditions | Yield |
---|---|
With formic acid Erwaermen des Reaktionsprodukts mit wss.Kalilauge; |
Conditions | Yield |
---|---|
With water | |
With sodium carbonate |
diethyl ether
tri-n-butyl(vinyl)tin
phenyllithium
acetone
A
2-methyl-3-buten-2-ol
B
tributylphenylstannane
Conditions | Yield |
---|---|
und anschliessenden Hydrolysieren; |
Conditions | Yield |
---|---|
With tetrahydrofuran |
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With diethyl ether | |
Stage #1: vinyl magnesium bromide; acetone In tetrahydrofuran at -78℃; for 3h; Stage #2: With water In tetrahydrofuran Further stages.; | |
In tetrahydrofuran at 0 - 20℃; for 12h; | |
In tetrahydrofuran at 0 - 20℃; for 4h; Inert atmosphere; |
2-methyl-but-3-yn-2-ol
A
2,7-dimethyl-octa-3,5-diyne-2,7-diol
B
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
elektrolytische Reduktion an Nickelkathoden.Electrolysis; | |
With nickel bei der elektrolytischen Reduktion niederer Stromdichte; |
3,3-dimethyl-allyl chloride
A
2-methyl-3-buten-2-ol
B
3-methyl-2-buten-1-ol
Conditions | Yield |
---|---|
With sodium hydrogencarbonate at 50℃; |
Conditions | Yield |
---|---|
With sodium carbonate | |
Multi-step reaction with 3 steps 1: NaHCO3 / >50 2: hydrogen chloride / 0 °C 3: NaHCO3 / 50 °C View Scheme | |
With alkali Hydrolysis; |
4,4-dimethyl-1,3-dioxane
A
4-methyl-3,6-dihydro-2H-pyran
B
2-methyl-1-buten-4-ol
C
3-methyl-butane-1,3-diol
D
4-hydroxy-4-methyltetrahydropyran
E
2-methyl-3-buten-2-ol
F
3-methyl-2-buten-1-ol
Conditions | Yield |
---|---|
With sulfuric acid at 120℃; for 3h; Product distribution; various catalyst, various temperature, various time, extent of conversion, solvent cyclohexane; |
3-methyl-butane-1,3-diol
A
2-methyl-1-buten-4-ol
B
2-methyl-3-buten-2-ol
C
3-methyl-2-buten-1-ol
D
isoprene
Conditions | Yield |
---|---|
With potassium hydrogensulfate at 140℃; for 0.75h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | A n/a B 8 % Chromat. C n/a D 30 % Chromat. |
With potassium hydrogensulfate at 140℃; for 0.75h; Product distribution; investigation of regioselectivity of dehydration with var. reagents in terpene derivatives; | A n/a B 8 % Chromat. C n/a D 30 % Chromat. |
formic acid
3-methyl-2-buten-1-ol
A
2-methyl-3-buten-2-ol
B
formiate de methyl-3 butene-2 ol-1
C
formiate de methyl-2 butene-3 ol-2
Conditions | Yield |
---|---|
In chloroform-d1; dichloromethane at 34℃; for 1h; Product distribution; |
Conditions | Yield |
---|---|
With indium; oxygen 1.) DMF, 1 h, RT, 2.) room temperature, 3 h; Yield given. Multistep reaction. Yields of byproduct given; |
3-(benzyloxy)-3-methyl-1-butene
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
With sodium In ammonia Yield given; |
3-Methyl-2-butenyl phenyl telluride
A
2-methyl-3-buten-2-ol
B
3,3-dimethyl acrylaldehyde
C
3-methyl-2-buten-1-ol
Conditions | Yield |
---|---|
With oxygen at 15 - 20℃; for 1h; var. oxidants and time.; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
With dihydrogen peroxide at 15 - 20℃; for 2h; var. oxidants and time.; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With hydrogen; copper-palladium In water at 20℃; Product distribution; Kinetics; various catalysts, solvents, temperature; | |
With hydrogen; copper-palladium In water at 20℃; Yield given. Yields of byproduct given; | |
With hydrogen; copper-palladium In water at 20℃; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
indium(III) chloride In acetonitrile at 20℃; for 0.5h; | 100% |
With dmap; triethylamine In dichloromethane at 20℃; | 91% |
With dmap; triethylamine In dichloromethane at 20℃; Cooling with ice; Inert atmosphere; | 91% |
methanesulfonic acid
2-methyl-3-buten-2-ol
Δ3-Isopentenyl methyl sulfide
isopentenyl methyl prenyl sulfonium methane sulfonate
Conditions | Yield |
---|---|
In dichloromethane for 72h; Ambient temperature; | 100% |
Phenylselenyl chloride
2-methyl-3-buten-2-ol
3-methyl-2-(phenylselenyl)-1,3-butanediol
Conditions | Yield |
---|---|
In water; acetonitrile for 2h; Ambient temperature; | 100% |
With water In acetonitrile at 20℃; for 24h; | 86% |
2-methyl-3-buten-2-ol
tert-butyl 2-methylbut-3-en-2-yl carbonate
Conditions | Yield |
---|---|
Stage #1: 2-methyl-3-buten-2-ol With n-butyllithium In tetrahydrofuran; hexane at -78℃; Inert atmosphere; Stage #2: With 2,2-dimethylpropanoic anhydride In tetrahydrofuran; hexane at -78 - 20℃; | 100% |
Conditions | Yield |
---|---|
Stage #1: 2-methyl-3-buten-2-ol With n-butyllithium In tetrahydrofuran; hexane at 0℃; Inert atmosphere; Stage #2: isobutyl chloroformate In tetrahydrofuran; hexane at 0 - 20℃; | 100% |
1-methyl-2-imidazolidone
2-methyl-3-buten-2-ol
1-methyl-3-(3-methylbut-2-enyl)imidazolidin-2-one
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; 2-(di-tert-butylphosphino)-1,1'-biphenylgold(I) chloride In 1,4-dioxane at 60℃; for 24h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With 1,5-dichloro-9,10-anthraquinone In dichloromethane for 0.5h; UV-irradiation; | 99% |
With trifluoroacetic acid In dichloromethane at 20℃; | 70% |
With trifluoroacetic acid In dichloromethane at 20℃; | 70% |
With Ersorb-4 zeolite at 20℃; for 1h; | 74 % Spectr. |
2-methyl-3-buten-2-ol
(3S)-3,4-Epoxy-2-methyl-2-butanol
Conditions | Yield |
---|---|
With (R,R)-N-[2-(diphenylacetylhydroxyamino)cyclohexyl]-N-hydroxy-2,2-diphenylacetamide; Cumene hydroperoxide; hafnium(IV) tert-butoxide; magnesium oxide In toluene at 0 - 5℃; for 48h; Inert atmosphere; Glovebox; enantioselective reaction; | 99% |
Conditions | Yield |
---|---|
With copper(l) iodide; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine; triphenylphosphine In toluene at 80℃; Inert atmosphere; | 99% |
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
With bis-[(trifluoroacetoxy)iodo]benzene at 20℃; for 0.166667h; | 99% |
Conditions | Yield |
---|---|
With 2,3,4,5,6-pentafluorophenol; briphos; bis(dibenzylideneacetone)-palladium(0) In dichloromethane at 30℃; for 6h; Inert atmosphere; regioselective reaction; | 99% |
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 20℃; for 72h; Inert atmosphere; stereoselective reaction; | 99% |
4-methyl-1,2-dihydroquinolin-2-one
2-methyl-3-buten-2-ol
1-(1-Hydroxy-1-methyl-ethyl)-8b-methyl-2,2a,4,8b-tetrahydro-1H-cyclobuta[c]quinolin-3-one
Conditions | Yield |
---|---|
In methanol Product distribution; Irradiation; 2+2 adducts with heteroaromatics involving an enone function; in a second step with acids 3,3-dimethylallylated products; | 98% |
In methanol Irradiation; | 98% |
tert-butyl-(3,6-dimethyl-2-vinyl-2,3-dihydro-benzofuran-5-yloxy)-dimethyl-silane
2-methyl-3-buten-2-ol
(E)-4-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-3,6-dimethyl-2,3-dihydro-benzofuran-2-yl]-2-methyl-but-3-en-2-ol
Conditions | Yield |
---|---|
chiral Ru(IV) complex In dichloromethane for 20h; Heating; | 98% |
Conditions | Yield |
---|---|
With triethyl borane | 98% |
potassium hydrogenfluoride
tetrahydroxydiboron
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
[1,3-bis(phenylselenomethyl)phenyl]palladium(II) chloride In methanol; dimethyl sulfoxide react. (B(OH)2)2 with olefine at 50°C for 16 h in mixt. DMSO-MeOH, aq. KHF2 was added; | 98% |
2-methyl-3-buten-2-ol
2-amino-4-bromobenzoic acid
Conditions | Yield |
---|---|
With palladium diacetate; sodium 3-(diphenylphosphanyl)benzenesulfonate; sodium hydroxide In water at 100℃; for 48h; Heck reaction; chemoselective reaction; | 98% |
3-Bromopyridine
2-methyl-3-buten-2-ol
(E)-2-methyl-4-(pyridin-3-yl)but-3-en-2-ol
Conditions | Yield |
---|---|
With dicyclohexyl(2',4',6'-triisopropyl-[1,1':3',1''-terphenyl]-2-yl)phosphane; palladium diacetate; sodium hydrogencarbonate In N,N-dimethyl-formamide at 120℃; for 8h; Sealed tube; Inert atmosphere; Glovebox; Schlenk technique; | 98% |
With C48H42Cl2O4P4Pd2; sodium acetate In N,N-dimethyl-formamide at 90℃; for 6h; Heck reaction; regioselective reaction; | 88% |
phenethyl isocyanate
2-methyl-3-buten-2-ol
N-(2-phenylethyl)-N-(1,1-dimethylallyloxy)carbonylamide
Conditions | Yield |
---|---|
With triethylamine at 20 - 100℃; for 12h; Inert atmosphere; | 98% |
2-methyl-3-buten-2-ol
4-methyl-N-{2-(phenylethynyl)phenyl}benzenesulfonamide
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; sodium 3-(diphenylphosphanyl)benzenesulfonate In 1,4-dioxane; water for 1h; Reflux; Inert atmosphere; | 98% |
2-methyl-3-buten-2-ol
N,N-dimethyl-formamide dimethyl acetal
N,N,5-trimethylhex-4-enamide
Conditions | Yield |
---|---|
In toluene at 180℃; for 5h; Sealed tube; | 98% |
2-methyl-3-buten-2-ol
t-butyldimethylsiyl triflate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 3h; | 98% |
Trimethyl orthoacetate
2-methyl-3-buten-2-ol
methyl 3,3-dimethyl-4-penteneoate
Conditions | Yield |
---|---|
With phosphoric acid at 190℃; under 9750.98 Torr; for 20h; Temperature; Claisen Rearrangement; | 97.2% |
2-methyl-3-buten-2-ol
Conditions | Yield |
---|---|
With silver carbonate; palladium diacetate In N,N-dimethyl-formamide at 90℃; Heck reaction; | 97% |
Conditions | Yield |
---|---|
With sodium dithionite; sodium hydrogencarbonate In acetonitrile at 20℃; for 4h; | 97% |
2-methyl-3-buten-2-ol
di-tert-butyl dicarbonate
tert-butyl 2-methylbut-3-en-2-yl carbonate
Conditions | Yield |
---|---|
Stage #1: 2-methyl-3-buten-2-ol With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.333333h; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; hexane at 0 - 23℃; for 4h; | 97% |
Stage #1: 2-methyl-3-buten-2-ol With n-butyllithium In tetrahydrofuran at 0℃; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran | 94% |
With n-butyllithium In tetrahydrofuran at -78 - 20℃; | 71% |
Stage #1: 2-methyl-3-buten-2-ol With methylmagnesium chloride In tetrahydrofuran; diethyl ether at 0℃; for 0.5h; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; diethyl ether at 0 - 20℃; Further stages.; | 55% |
Stage #1: 2-methyl-3-buten-2-ol With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.25h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; hexane at 20℃; for 3h; Inert atmosphere; |
Molecular Structure of 2-Methyl-3-buten-2-ol (115-18-4):
IUPAC Name: 2-Methylbut-3-en-2-ol
Molecular Formula: C5H10O
Molecular Weight: 86.132300 g/mol
EINECS: 204-068-4
XLogP3-AA: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CC(C)(C=C)O
InChI: InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChIKey: HNVRRHSXBLFLIG-UHFFFAOYSA-N
Index of Refraction: 1.423
Molar Refractivity: 26.43 cm3
Molar Volume: 103.7 cm3
Surface Tension: 24.9 dyne/cm
Density: 0.83 g/cm3
Flash Point: 12.8 °C
Melting Point: -43 °C
Enthalpy of Vaporization: 39.39 kJ/mol
Boiling Point: 98.5 °C at 760 mmHg
Vapour Pressure: 22.9 mmHg at 25 °C
Water Solubility: 4.874e+004 mg/L at 25 °C
Storage Temperature: Flammables area
2-Methyl-3-buten-2-ol (CAS NO.115-18-4) is used to product Vitamin E , Vitamin K1 , Vitamin A , etc.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | unreported | 435mg/kg (435mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
mouse | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 14, Pg. 449, 1976. | |
mouse | LD50 | subcutaneous | 1680mg/kg (1680mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955. | |
rat | LD50 | intraperitoneal | 1315mg/kg (1315mg/kg) | Planta Medica. Vol. 48, Pg. 120, 1983. |
When heated to decomposition, it yields Carbon monoxide , Carbon dioxide .
Hazard Codes: F,Xn,F++
Risk Statements: 11-22-36
R11:Highly flammable.
R22:Harmful if swallowed.
R36:Irritating to eyes.
Safety Statements: 16-26-36
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1987 3/PG 2
WGK Germany: 1
RTECS: EM9472000
HazardClass: 3
PackingGroup of 2-Methyl-3-buten-2-ol (CAS NO.115-18-4): II
2-Methyl-3-buten-2-ol (CAS NO.115-18-4) is also known as 3-Hydroxy-3-methylbutene ; 1,1-Dimethyl-2-propanol ; 1,1-Dimethyl-2-propenol ; 1,1-Dimethylallyl alchol ; 1,1-Dimethylallyl alcohol ; 2-Methyl-2-hydroxy-3-butene ; 2-Methyl-3-buten-2-ol ; 2-Methyl-3-buten-2-yl alcohol ; 3-Buten-2-ol, 2-methyl- ; 3-Hydroxy-3-methylbutene ; 3-Methyl-1-buten-3-ol ; 3-Methyl-buten-(1)-ol-(3) ; Dimethylvinylcarbinol ; Dimethylvinylmethanol ; Methylbutenol ; Vinyldimethylcarbinol ; alpha,alpha-Dimethylallyl alcohol ; 1-Buten-3-ol, 3-methyl- ; 2-Methylbut-3-en-2-ol ; 3-Butyn-2-ol, 2-methyl- (8CI,9CI) . It is colorless - very slightly yellow clear liquid. It is incompatible with strong oxidizing agents. It slightly soluble in water.
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