Conditions | Yield |
---|---|
In water at 280℃; under 150015 Torr; for 0.166667h; | 95% |
at 200℃; under 235362 - 478080 Torr; | |
In methanol; water; isopropyl alcohol |
3,4-epoxy-3-methylbutanol
2-methyl-1-buten-4-ol
Conditions | Yield |
---|---|
With zirconium(IV) chloride; sodium iodide In acetonitrile for 0.0166667h; Heating; | 90% |
Conditions | Yield |
---|---|
With triphenylphosphine; paraformaldehyde; hexacarbonyl molybdenum In benzene | 70% |
With paraformaldehyde In benzene | 59% |
With paraformaldehyde In benzene | 50% |
Conditions | Yield |
---|---|
In diethyl ether Heating; | 65% |
With diethyl ether | |
In diethyl ether for 12h; Heating; Yield given; |
Conditions | Yield |
---|---|
With oxygen at 200℃; under 75007.5 Torr; Pressure; Temperature; | 61.2% |
Conditions | Yield |
---|---|
With paraformaldehyde In benzene | 60% |
Conditions | Yield |
---|---|
With paraformaldehyde In benzene | 58% |
Conditions | Yield |
---|---|
With paraformaldehyde In benzene | 57% |
2-isopropyloxirane
A
3-methyl-butan-2-one
B
2-methyl-1-buten-4-ol
C
2-isopropyl-5-methyl-hex-2-enal
D
3-methyl-2-buten-1-ol
Conditions | Yield |
---|---|
With magnesium bromide In N,N-dimethyl-formamide at 130℃; for 0.666667h; Further byproducts given; | A 52.2% B 23.2% C 8.7% D 13.7% |
Conditions | Yield |
---|---|
With paraformaldehyde In acetonitrile | 44% |
Conditions | Yield |
---|---|
With paraformaldehyde In benzene | 40% |
Conditions | Yield |
---|---|
With formaldehyd | A 36% B n/a |
Conditions | Yield |
---|---|
With [Ru(η(5)-C5,κ-N-Cp(N))(CH3CN)2]PF6 In tetrahydrofuran-d8 at 60℃; for 5.33333h; Inert atmosphere; | A 31% B 16% |
3-methyl-2-buten-1-ol
A
2-methyl-1-buten-4-ol
B
i-Amyl alcohol
C
3,3-dimethyl acrylaldehyde
Conditions | Yield |
---|---|
With hydrogen In water at 20℃; under 759.826 Torr; for 24h; | A 10% B 21% C 7% |
With hydrogen In water at 20℃; under 759.826 Torr; for 24h; | A 18% B 15% C 7% |
With hydrogen In water at 20℃; under 759.826 Torr; for 24h; | A 16% B 9% C 18% |
3-methyl-2-buten-1-ol
A
2-methyl-1-buten-4-ol
B
3,3-dimethyl acrylaldehyde
Conditions | Yield |
---|---|
With hydrogen In water at 20℃; under 759.826 Torr; for 24h; | A 18% B 14% |
Conditions | Yield |
---|---|
With zinc(II) chloride at 80℃; under 750.075 Torr; for 2h; Reagent/catalyst; Time; Temperature; Inert atmosphere; | 14.77% |
Conditions | Yield |
---|---|
With hydrogen In water at 20℃; under 759.826 Torr; for 24h; | A 10% B 6% |
3-methyl-2-buten-1-ol
A
2-methyl-1-buten-4-ol
B
3,3-dimethyl acrylaldehyde
C
isovaleraldehyde
D
isoprene
Conditions | Yield |
---|---|
(sulphos)Rh(CO)2 In 1,2-dichloro-ethane at 100℃; for 1h; Product distribution; Further Variations:; Solvents; autoclave; | A 4% B 4% C 4% D 9% |
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 |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether |
Conditions | Yield |
---|---|
With potassium hydroxide | |
Multi-step reaction with 2 steps 1: 81 percent / HBF4*Et2O / CH2Cl2 / -30 °C 2: 10N NaOH / CH2Cl2; methanol / 24 h / Ambient temperature View Scheme |
formaldehyd
isobutene
A
2-methyl-1-buten-4-ol
B
bis-(3-methyl-but-3-enyloxy)-methane
Conditions | Yield |
---|---|
With tin(IV) chloride unter Druck; |
formaldehyd
isobutene
A
2-methyl-1-buten-4-ol
B
3-methylenepentane-1,5-diol
Conditions | Yield |
---|---|
at 200℃; under 320 - 640 Torr; | |
at 200℃; |
2,2-dimethyl-oxetane
benzaldehyde
A
2-methyl-1-buten-4-ol
B
i-Amyl alcohol
C
2,2-dimethyl-1-phenylbutane-1,4-diol
D
benzyl alcohol
Conditions | Yield |
---|---|
With 4,4'-di-tert-butylbiphenylide; triethylaluminum 1) THF, -70 deg C; Yield given. Multistep reaction. Yields of byproduct given; |
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. |
Conditions | Yield |
---|---|
With pyridine at 0℃; for 2.5h; | 100% |
With triethylamine In dichloromethane at 20℃; for 18h; | 100% |
With triethylamine In dichloromethane 1.) 0 deg C, 1 h, 2.) r.t., 12 h; | 98% |
2-methyl-1-buten-4-ol
methanesulfonyl chloride
4-mesyloxy-2-methylbutene
Conditions | Yield |
---|---|
With triethylamine In diethyl ether at 0℃; for 1h; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 3h; | 100% |
2-methyl-1-buten-4-ol
benzenesulfonyl chloride
3-methyl-3-butenyl-1-benznesulfonate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0℃; for 4h; | 100% |
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 4.33333h; |
Conditions | Yield |
---|---|
With di-tert-butyl-diazodicarboxylate; triphenylphosphine In tetrahydrofuran at 70℃; Mitsunobu reaction; | 100% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran; toluene for 1.5h; Inert atmosphere; Reflux; | 91% |
With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane for 3h; Ambient temperature; | 79% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 70℃; | 53% |
With dicyclohexyl-carbodiimide; copper(l) chloride 1.) 5h, 60 deg C, 2.) 12h, 100 deg C; Yield given. Multistep reaction; |
2-methyl-1-buten-4-ol
4-methoxy-phenol
1-methoxy-4-((3-methylbut-3-en-1-yl)oxy)benzene
Conditions | Yield |
---|---|
With diethyl diazodicarboxylate; triphenylphosphine In tetrahydrofuran; toluene at 20℃; for 1h; Heating / reflux; | 100% |
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 4h; Heating; | 99% |
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Mitsunobu reaction; | 98% |
2-methyl-1-buten-4-ol
tert-butylchlorodiphenylsilane
tert-butyl((3-methylbut-3-en-1-yl)oxy)diphenylsilane
Conditions | Yield |
---|---|
With 1H-imidazole In dichloromethane | 100% |
With 1H-imidazole In tetrahydrofuran for 1h; Ambient temperature; | 99% |
With dmap; triethylamine In dichloromethane at 0℃; for 12h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0℃; for 0.666667h; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere; | 99% |
With dmap In dichloromethane at 0 - 20℃; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With dmap; carbodiimide | 100% |
2-methyl-1-buten-4-ol
2-acetoxy-2-phenylacetic acid
Conditions | Yield |
---|---|
With dmap; carbodiimide | 100% |
2-methyl-1-buten-4-ol
L-Pyroglutamic acid
(5S)-2-pyrrolidone-5-carboxylic acid 3-methyl-3-butenyl ester
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; | 100% |
With dmap; dicyclohexyl-carbodiimide In dichloromethane |
2-methyl-1-buten-4-ol
Allylchlorodimethylsilane
allyl(dimethyl)[(3-methylbut-3-en-1-yl)oxy]silane
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 20℃; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 99% |
2-methyl-1-buten-4-ol
N-phenyl-benzimidoyl chloride
3-methylbut-3-enyl N-phenylbenzimidate
Conditions | Yield |
---|---|
Stage #1: 2-methyl-1-buten-4-ol With sodium hydride In tetrahydrofuran; mineral oil at 0 - 30℃; for 1.25h; Stage #2: N-phenyl-benzimidoyl chloride In tetrahydrofuran; mineral oil at 0 - 20℃; for 20h; | 100% |
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0℃; for 1.5h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 100% |
2-methyl-1-buten-4-ol
2,4-Dinitrofluorobenzene
isopentenyl 2,4-dinitrophenyl ether
Conditions | Yield |
---|---|
With triethylamine 1.) 30 min, 70 deg C, 2.) 12 h, room temperature; | 99% |
2-methyl-1-buten-4-ol
ortho-nitrofluorobenzene
1-((3-methylbut-3-en-1-yl)oxy)-2-nitrobenzene
Conditions | Yield |
---|---|
Stage #1: 2-methyl-1-buten-4-ol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.25h; Stage #2: ortho-nitrofluorobenzene In tetrahydrofuran; mineral oil at 0 - 20℃; for 2h; | 99% |
Stage #1: 2-methyl-1-buten-4-ol With sodium hydride; N,N-dimethyl-formamide Stage #2: ortho-nitrofluorobenzene at 50℃; | 84% |
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In dichloromethane at 0 - 20℃; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran; toluene at 20℃; for 22h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran; toluene at 20℃; for 1h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere; | 99% |
With dmap; triethylamine In dichloromethane at 20℃; | 90% |
With dmap; triethylamine In dichloromethane at 0 - 20℃; | 83% |
Conditions | Yield |
---|---|
Stage #1: 4-Bromobenzoic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 1h; Stage #2: 2-methyl-1-buten-4-ol In dichloromethane at 20℃; | 99% |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 24h; | 90% |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; |
2-methyl-1-buten-4-ol
phthalic anhydride
o-((3-methylbut-3-enoxy)carbonyl)benzoic acid
Conditions | Yield |
---|---|
In pyridine; benzene at 100℃; for 2h; | 98% |
2-methyl-1-buten-4-ol
tert-butyldimethylsilyl chloride
1-(tert-butyldimethylsiloxy)-3-methyl-3-butene
Conditions | Yield |
---|---|
With 1H-imidazole In dichloromethane at 20℃; for 18h; | 98% |
With 1H-imidazole In dichloromethane at 20℃; for 18h; | 94% |
With 1H-imidazole In N,N-dimethyl-formamide for 4h; Ambient temperature; | 90% |
2-methyl-1-buten-4-ol
4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol
Conditions | Yield |
---|---|
In hexane | 98% |
2-methyl-1-buten-4-ol
N-phthaloylglycine
3-methylbut-3-en-1-yl 2-(1,3-dioxoisoindolin-2-yl)acetate
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 12h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate; eosin y; triisopropylsilanethiol In 1,4-dioxane; water at 32 - 34℃; for 12h; Inert atmosphere; Irradiation; | 98% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 100 - 105℃; for 4h; | 97.3% |
2-methyl-1-buten-4-ol
2,4-Dinitrofluorobenzene
1-(dinitro-2,4-phenoxy)-3-methyl-2-butene
Conditions | Yield |
---|---|
With triethylamine 1.) 30 min, 70 deg C, 2.) 12 h, room temperature; | 97% |
2-methyl-1-buten-4-ol
benzyl bromide
(((3-methylbut-3-en-1-yl)oxy)methyl)benzene
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at 20℃; for 12h; | 97% |
With tetra-(n-butyl)ammonium iodide; sodium hydride In tetrahydrofuran 1.) r.t., 2.) 40 deg C, 4 h; | 91% |
With tetra-(n-butyl)ammonium iodide; sodium hydride In tetrahydrofuran at 20℃; | 89% |
The 3-Buten-1-ol, 3-methyl, with the CAS registry number 763-32-6 and EINECS registry number 212-110-8, has the systematic nane and IUPAC name of 3-methylbut-3-en-1-ol. It is a kind of clear colorless to light yellow liquid, and belongs to the following product categories: Alphabetical Listings; Flavors and Fragrances; M-N; Acyclic; Alkenes; Organic Building Blocks. And the molecular formula of the chemical is C5H10O.
The characteristics of 3-Buten-1-ol, 3-methyl are as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.11; (6)ACD/BCF (pH 7.4): 4.11; (7)ACD/KOC (pH 5.5): 95.68; (8)ACD/KOC (pH 7.4): 95.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 26.31 cm3; (15)Molar Volume: 103.4 cm3; (16)Polarizability: 10.43×10-24cm3; (17)Surface Tension: 25.7 dyne/cm; (18)Density: 0.832 g/cm3; (19)Flash Point: 40.1 °C; (20)Enthalpy of Vaporization: 41.1 kJ/mol; (21)Boiling Point: 114.2 °C at 760 mmHg; (22)Vapour Pressure: 10.2 mmHg at 25°C.
Preparation of 2-Methyl-1-buten-4-ol: This chemical can be prepared by formaldehyde and (2-methyl-allyl)-magnesium chloride. The reaction will need reagent diethyl ether, and heating. And the yield is about 65%.
Uses of 2-Methyl-1-buten-4-ol: It can react with thiazolidine-2,4-dione to produce thiazolidine-2,4-dione. This reaction will need reagent dimethylazodicarboxylate and triphenylphosphine, and menstruum tetrahydrofuran. And the yield is about 80%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCC(=C)\C
(2)InChI: InChI=1/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
(3)InChIKey: CPJRRXSHAYUTGL-UHFFFAOYAD
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