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 |
---|---|
With sodium tetrahydroborate; hydrogen; nickel dichloride In isopropyl alcohol at 60℃; under 760.051 Torr; for 7h; | 90% |
With hydrogen; palladium membrane at 29.9℃; Kinetics; electrochemical reduction; | |
With alkali durch elektrolytische Reduktion an Platinkathoden; |
Conditions | Yield |
---|---|
With nano magnetic sulfated zirconia (Fe3O4 at ZrO2/SO42-) In neat (no solvent) at 20℃; for 0.416667h; Green chemistry; | 80% |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide In tetrahydrofuran; N,N-dimethyl-formamide for 7h; Ambient temperature; electrolysis with Pt/Cu electrodes; | 76% |
methylbutane
A
3-methyl-butan-2-one
B
tert-Amyl alcohol
C
2-Methylbutyraldehyde
D
3-methyl-2-butanol
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h; | A 11% B 70% C 4.5% D n/a |
With [2,2]bipyridinyl; Ba; trifluoroacetic acid In dichloromethane at 20℃; for 0.0333333h; Product distribution; | A 11% B 70% C 4.5% D n/a |
2-Methyl-1-butene
acetic acid
A
tert-Amyl alcohol
B
2-fluoro-2-methylbutane
C
tert-amyl acetate
Conditions | Yield |
---|---|
With hydrogenchloride; water at 25℃; Kinetics; | A 70% B 25% C n/a |
1,1-dimethyl-1-(2-propenyloxy)-propane
tert-Amyl alcohol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; titanium tetrachloride In tetrahydrofuran for 8h; Ambient temperature; | 49% |
Conditions | Yield |
---|---|
With N-hydroxyphthalimide; air; cobalt(II) acetate In benzonitrile at 100℃; under 7600 Torr; for 8h; Oxidation; | A 21% B 15% C 32% |
Conditions | Yield |
---|---|
With acid-washed bentonite In acetone at 40 - 50℃; | 10% |
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride |
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
With sulfuric acid at 50℃; | |
With sulfuric acid at 120℃; under 7355.08 - 11032.6 Torr; | |
With ammonium sulfate; sulfuric acid at 0℃; |
diethyl ether
1,1-dimethylpropylmagnesium chloride
methylammonium carbonate
tert-Amyl alcohol
Conditions | Yield |
---|---|
ausser Dimethyl-aethyl-essigsaeure; |
Conditions | Yield |
---|---|
With glyceride alkali salt; water Hydrolysis; | |
With sodium hydroxide Hydrolysis.in Gegenwart von fettsauren Alkalisalzen; |
Conditions | Yield |
---|---|
With alkali durch elektrolytische Reduktion an Platinkathoden; | |
With hydrogen; palladium at 20℃; under 760 Torr; Rate constant; effect of solvent (methanol, cyclohexane) on hydrogenation; | |
With hydrogen; palladium at 20℃; under 735.5 Torr; Rate constant; effects of solvent on hydrogenation of title compound; |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
With hydrogen bromide at 165℃; | |
With 3,3-dimethyldioxirane In acetone Rate constant; Ambient temperature; |
2-bromo-2-methylbutane
1-methyl-4-nitrosobenzene
A
tert-Amyl alcohol
B
2-methyl-but-2-ene
Conditions | Yield |
---|---|
at 35℃; Hydrolysis; | |
at 45℃; Hydrolysis; |
Conditions | Yield |
---|---|
Hydrolysis; |
Conditions | Yield |
---|---|
With potassium hydroxide |
3,3-dimethyl-2-pentanol
A
tert-Amyl alcohol
B
3,3-dimethyl-2-pentanone
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic acid |
isopropyl-tert-pentyl-carbinol
A
tert-Amyl alcohol
B
2,4,4-trimethyl-hexan-3-one
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic acid |
2-hydroxy-2-methyl-butyronitrile
A
tert-Amyl alcohol
B
3-hydroxy-3-methyl-pentan-2-one
C
butanone
2-methyl-butan-2-ol; zirconium (IV)-compound
A
tert-Amyl alcohol
B
penta-1,2-diene
Conditions | Yield |
---|---|
at 250 - 320℃; under 175 - 760 Torr; Pyrolysis; |
1,1-dimethylpropylmagnesium chloride
methylammonium carbonate
tert-Amyl alcohol
1,1-dimethylpropylmagnesium chloride
tert-Amyl alcohol
Conditions | Yield |
---|---|
With oxygen Zersetzung des Reaktionsproduktes mit Wasser; |
Conditions | Yield |
---|---|
With bismuth(III) chloride In tetrachloromethane at 25℃; for 0.0833333h; | 100% |
With hydrogenchloride In water at 20℃; for 0.05h; | 98% |
With chloro-trimethyl-silane; dimethyl sulfoxide for 0.166667h; | 88% |
tert-Amyl alcohol
N,N-Dimethylcarbamidsaeure-trimethylsilylester
2-methyl-2-trimethylsiloxybutane
Conditions | Yield |
---|---|
at 100℃; for 15h; | 100% |
at 69.9℃; Mechanism; Rate constant; Kinetics; var. time and temp.; |
Conditions | Yield |
---|---|
With pyridine In diethyl ether at 0℃; | 100% |
tert-Amyl alcohol
4-methylthiophenyl chloroformate
Conditions | Yield |
---|---|
With pyridine In dichloromethane | 100% |
Conditions | Yield |
---|---|
In tert-Amyl alcohol byproducts: isopropanol; anhydrous conditions; refluxing (48 h, distn. off of i-PrOH); solvent removal (vac.); elem. anal.; | 99.5% |
Conditions | Yield |
---|---|
With aluminum (III) chloride; iron(III) chloride at 0 - 5℃; for 6h; Large scale; | 99.4% |
With AlCl2 | |
With iron(III) chloride | |
With aluminium trichloride |
tert-Amyl alcohol
Conditions | Yield |
---|---|
under N2; elem. anal.; | 99.3% |
Conditions | Yield |
---|---|
With erbium(III) chloride at 50℃; for 3.5h; | 99% |
cerium triflate In acetonitrile at 20℃; for 24h; | 98% |
With Methylenediphosphonic acid at 20℃; for 3.5h; neat (no solvent); | 97% |
tert-Amyl alcohol
Conditions | Yield |
---|---|
With bis(tri-t-butylphosphine)palladium(0); N,N-diethyl-1,1,1-trimethylsilanamine at 80℃; for 24h; Inert atmosphere; Schlenk technique; | 99% |
tert-Amyl alcohol
tert-amyl hypobromite
Conditions | Yield |
---|---|
With bromine; mercury(II) oxide In pentane for 1h; Product distribution; Ambient temperature; other tertiary and secondary alcohols; | 98.5% |
3-(trimethylsilyl)-2-oxazolidinone
tert-Amyl alcohol
2-methyl-2-trimethylsiloxybutane
Conditions | Yield |
---|---|
chloro-trimethyl-silane at 0℃; for 0.0333333h; | 98% |
tert-Amyl alcohol
Conditions | Yield |
---|---|
In benzene byproducts: isopropanol; moisture excluded; excess alcohol added to soln. of nickel tantalum isopropoxide; refluxed over a fractionating column; isopropanol liberated was continuously fractionated out with benzene between 72-80°C; excess of solvent removed under reduced pressure and compd. dried; elem. anal.; | 98% |
5-methylisoxazole
tert-Amyl alcohol
3,5-diamino-6-chloro-pyrazine-2-carboxylic acid
1-(2-methyl-2-butyl-carbamoyl)prop-1-en-2-yl 3,5-diamino-6-chloropyrazine-2-carboxylate
Conditions | Yield |
---|---|
Stage #1: 5-methylisoxazole; tert-Amyl alcohol With trifluorormethanesulfonic acid In N,N-dimethyl-formamide for 1h; Cooling with ice; Stage #2: 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid With triethylamine In N,N-dimethyl-formamide at 20℃; for 2h; Cooling with ice; | 98% |
Stage #1: 5-methylisoxazole; tert-Amyl alcohol With trifluorormethanesulfonic acid Cooling with ice; Stage #2: 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid With triethylamine In N,N-dimethyl-formamide at 25℃; for 2h; Cooling with ice; | 98% |
tert-Amyl alcohol
Conditions | Yield |
---|---|
In benzene byproducts: isopropanol; Excess of 2,2'-dimethylpentanol is added to a benzene soln. of the starting complex, the mixt. is refluxed for 5 h (N2).; The liberated isopropanol is removed azeotropically (72-80°C) till no isopropanol is detected in the destillate, the volatiles are stripped off in vacuo, the resulting complex is recrystallized from n-hexane (-10 to -15°C), elem. anal.; | 97.5% |
Conditions | Yield |
---|---|
With oxygen In isopropyl alcohol at 20℃; under 51.7162 - 103.432 Torr; Schlenk technique; Cooling with ice; | 97.3% |
Glovebox; Inert atmosphere; Sealed tube; | 97.3% |
With 2,2',2''-triaminotriethylamine In pentane for 2h; Schlenk technique; Cooling with ice; Glovebox; | 435 g |
tert-Amyl alcohol
bicyclo<2.2.1>hept-5,6-ene-2α,3β-dicarbonitrile
Conditions | Yield |
---|---|
With sulfuric acid In acetic acid for 12h; Ritter reaction; | 97% |
tert-Amyl alcohol
methanesulfonic acid 3-(naphthalen-2-oxy)-1-propyl ester
A
2-[3-(2-methyl-2-butoxy)propoxy]naphthalene
B
2-(3-fluoro-n-propoxy)naphthalene
Conditions | Yield |
---|---|
With rubidium fluoride; polystyrene-supported 1-n-hexyl-3-methylimidazolium BF4 at 90℃; for 1.5h; | A 2 % Spectr. B 97% |
With cesium fluoride at 80℃; for 2.5 - 6h; Product distribution / selectivity; | A 4% B 93% |
With cesium fluoride at 80℃; for 6h; | A 5 % Spectr. B 93% |
tert-Amyl alcohol
Conditions | Yield |
---|---|
With cesium fluoride; polystyrene-supported 1-n-hexyl-3-methylimidazolium BF4 at 80℃; for 1h; | A n/a B 97% |
tert-Amyl alcohol
Conditions | Yield |
---|---|
In benzene byproducts: isopropanol; moisture excluded; excess alcohol added to soln. of nickel niobium isopropoxide; refluxed over a fractionating column; isopropanol liberated was continuously fractionated out with benzene between 72-80°C; excess of solvent removed under reduced pressure and compd. dried; elem. anal.; | 97% |
tert-Amyl alcohol
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane at 0 - 22℃; for 1h; Inert atmosphere; | 97% |
With lithium In hexane Inert atmosphere; Schlenk technique; Reflux; | 77.8% |
tert-Amyl alcohol
RbOC(Me)2Et
Conditions | Yield |
---|---|
With rubidium In n-heptane Inert atmosphere; Schlenk technique; Reflux; | 96.7% |
With rubidium In tetrahydrofuran for 48h; Inert atmosphere; Reflux; | 92.5% |
Conditions | Yield |
---|---|
With hydrogen bromide at 50℃; for 0.25h; | 96.5% |
With hydrogen bromide; lithium bromide at -10℃; for 2h; | 91% |
With 1,2-dibromo-1,1,2,2-tetrachloroethane; triphenylphosphine In dichloromethane at 20℃; for 0.15h; Appel Halogenation; | 85% |
tert-Amyl alcohol
2-Chloromethyl-1,3-dioxepane
tert-butyl methyl ether
ethylene glycol
2-methylene-1,3-dioxepane
Conditions | Yield |
---|---|
With potassium hydroxide | 96.3% |
Conditions | Yield |
---|---|
at 120℃; for 0.5h; Mechanism; | 96% |
at 120℃; for 0.5h; | 96% |
copper(II) 2-ethylhexanoate In benzene Heating; |
tert-Amyl alcohol
trimethylsilyl cyanide
2-methyl-2-trimethylsiloxybutane
Conditions | Yield |
---|---|
at 25℃; for 0.0833333h; | 96% |
tert-Amyl alcohol
2-bromomethylnaphthyl bromide
B
2-(fluoromethyl)naphthalene
Conditions | Yield |
---|---|
With cesium fluoride; polystyrene-supported 1-n-hexyl-3-methylimidazolium BF4 at 80℃; for 0.5h; | A n/a B 96% |
Conditions | Yield |
---|---|
In dichloromethane byproducts: HN(CH3)2; under Ar, stirring at room temp. for 10 min;; layering with pentane, cooling to -25°C, standing overnight, elem. anal.;; | 96% |
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 24h; | 95% |
With sodium carbonate; potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane for 3h; Heating; | 80% |
With diethyl ether; magnesium |
tert-Amyl alcohol
1,1,1,3,3,3-hexamethyl-disilazane
2-methyl-2-trimethylsiloxybutane
Conditions | Yield |
---|---|
With aluminium(III) triflate at 20℃; for 1.11667h; | 95% |
With copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 20℃; for 2.5h; | 93% |
With nano magnetic sulfated zirconia (Fe3O4 at ZrO2/SO42-) In neat (no solvent) at 20℃; for 0.5h; Green chemistry; | 82% |
The IUPAC name of 2-Methyl-2-butanol is 2-methylbutan-2-ol. With the CAS registry number 75-85-4, it is also named as tert-Amyl alcohol. The product's category is Organics. Besides, it is colourless liquid with a camphor-like odour, which should be sealed in a cool, dark and ventilated place. It is light sensitive, and incompatible with strong oxidizing agents. In addition, its molecular formula is C5H12O and molecular weight is 88.15.
The other characteristics of this product can be summarized as: (1)EINECS: 200-908-9; (2)ACD/LogP: 1.04; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.04; (5)ACD/LogD (pH 7.4): 1.04; (6)ACD/BCF (pH 5.5): 3.64; (7)ACD/BCF (pH 7.4): 3.64; (8)ACD/KOC (pH 5.5): 87.73; (9)ACD/KOC (pH 7.4): 87.73; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 26.71 cm3; (15)Molar Volume: 108.6 cm3; (16)Surface Tension: 25 dyne/cm; (17)Density: 0.811 g/cm3; (18)Flash Point: 21.1 °C; (19)Melting point: -12 °C; (20)Water solubility: 120 g/L (20 °C); (21)Enthalpy of Vaporization: 39.77 kJ/mol; (22)Boiling Point: 102 °C at 760 mmHg; (23)Vapour Pressure: 19.2 mmHg at 25 °C.
Preparation of 2-Methyl-2-butanol: this chemical can be prepared by Acetone and Acetylene. This reaction will occur by ethynylation and hydrogenation.
Uses of 2-Methyl-2-butanol: this chemical possesses sedative, hypnotic, and anticonvulsant effects in humans. It is a cosolvent of cellulose esters, cellulose ethers, dope, varnish, mineral flotation agent, acridine and nitro spray. Moreover, it can react with Diketene to get Acetoacetic acid tert-pentyl ester.
This reaction needs 4-Dimethylaminopyridine and Tetrahydrofuran at temperature of 20 °C for 5 min. The yield is 73 %.
When you are using this chemical, please be cautious about it as the following: it is highly flammable. It is also harmful by inhalation. And it is irritating to respiratory system and skin. If swallowed, please seek medical advice immediately and show this container or label.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCC(C)(C)O
(2)InChI: InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
(3)InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
frog | LDLo | parenteral | 4gm/kg (4000mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935. |
man | LDLo | unreported | 441mg/kg (441mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
mouse | LD50 | intravenous | 610mg/kg (610mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. | |
mouse | LD50 | subcutaneous | 2100mg/kg (2100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955. | |
mouse | LDLo | intraperitoneal | 2gm/kg (2000mg/kg) | Skandinavisches Archiv fuer Physiologie. Vol. 79, Pg. 258, 1938. | |
mouse | LDLo | oral | 2500mg/kg (2500mg/kg) | "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931. | |
rabbit | LD50 | oral | 2028mg/kg (2028mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE CARDIAC: PULSE RATE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. |
rat | LCLo | inhalation | 5700ppm/6H (5700ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0536478, |
rat | LD50 | oral | 1gm/kg (1000mg/kg) | BEHAVIORAL: ATAXIA | Science. Vol. 116, Pg. 663, 1952. |
rat | LDLo | intraperitoneal | 1530mg/kg (1530mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945. | |
rat | LDLo | rectal | 1400mg/kg (1400mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 36, 1933. | |
rat | LDLo | subcutaneous | 1400mg/kg (1400mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 36, 1933. |
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