Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether at -5 - 5℃; for 3h; Inert atmosphere; | 91.2% |
With ethanol; sodium at 100℃; | |
Hydrogenation; |
Conditions | Yield |
---|---|
With chloroaluminium tetrahydroborate on poly(4-vinylpyridine) In ethanol for 9h; Heating; | 90% |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether at -5 - 5℃; for 3h; Inert atmosphere; | 89.2% |
With lithium borohydride In methanol; diethyl ether for 0.5h; Heating; | 87% |
With sodium tetrahydroborate In methanol; tert-butyl alcohol Heating; | 84 % Chromat. |
Conditions | Yield |
---|---|
With hydrogen at 150℃; under 9750.98 Torr; for 4.5h; | 87% |
With poly-η-(pyridine)zinc borohydride In diethyl ether for 1.6h; Ambient temperature; | 80% |
With hexarhodium hexadecacarbonyl; carbon monoxide; aminated polymer; water In benzene at 80℃; under 7600 Torr; for 24h; | 27 % Chromat. |
ethanol
sodium ethanolate
A
octanol
B
2-Ethylhexyl alcohol
C
2-ethyl-1-butanol
D
butan-1-ol
E
hexan-1-ol
Conditions | Yield |
---|---|
With [HN-(CH2CH2PiPr2)2]Mn(CO)2Br at 150℃; for 24h; Temperature; Reagent/catalyst; Guerbet Reaction; Schlenk technique; | A n/a B n/a C n/a D 33% E n/a |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether |
2-Ethylbutyraldehyde
tert-butylmagnesium chloride
A
4-ethyl-2,2-dimethyl-hexan-3-ol
B
2-ethyl-1-butanol
2-Ethylbutyraldehyde
1,1-dimethylpropylmagnesium chloride
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With diethyl ether |
2-Ethylbutyraldehyde
1,1-dimethylpropylmagnesium chloride
A
2-ethyl-1-butanol
B
5-ethyl-3,3-dimethyl-heptan-4-ol
hexa-1,5-diene-3,4-diol
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With sulfuric acid at 100 - 120℃; Hydrieren des Reaktionsprodukts bis zur Aufnahme von 6 Atomen Wasserstoff; |
diethyl ether
chlorure d'acide ethyl-2 butyrique
tert-butylmagnesium chloride
A
4-ethyl-2,2-dimethyl-hexan-3-ol
B
2-ethyl-1-butanol
diethyl ether
tert-butylmagnesium chloride
A
4-ethyl-2,2-dimethyl-hexan-3-ol
B
2-ethyl-1-butanol
2-ethylbut-3-en-1-ol
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With methanol; palladium Hydrogenation; |
chlorure d'acide ethyl-2 butyrique
1,1-dimethylpropylmagnesium chloride
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With diethyl ether |
chlorure d'acide ethyl-2 butyrique
1,1-dimethylpropylmagnesium chloride
A
2-ethyl-1-butanol
B
5-ethyl-3,3-dimethyl-heptan-4-ol
Conditions | Yield |
---|---|
With diethyl ether |
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With silver(I) nitrite |
Conditions | Yield |
---|---|
With potassium carbonate und Erhitzen des Reaktionsprodukts auf 100grad und anschliessendes Hydrieren an einem Kupfer-Katalysator bei 240grad; |
Conditions | Yield |
---|---|
With aluminum oxide; hydrogen; magnesium oxide; copper(II) oxide at 300℃; | |
With aluminum oxide; hydrogen; magnesium oxide; copper(II) oxide at 300℃; |
2-Ethyl-1-pyrrolidino-1-butene
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With sodium hydroxide; sodium tetrahydroborate; boron trifluoride diethyl etherate; dihydrogen peroxide 1.) THF, 25 deg C, 3 h, 2.) ether, 25 deg C, 3 h; Yield given. Multistep reaction; |
4-(2-ethylbut-1-en-1-yl)morpholine
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With sodium hydroxide; sodium tetrahydroborate; boron trifluoride diethyl etherate; dihydrogen peroxide 1.) THF, 25 deg C, 3 h, 2.) ether, 25 deg C, 3 h; Yield given. Multistep reaction; |
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With sodium hydroxide; sodium tetrahydroborate; boron trifluoride diethyl etherate; dihydrogen peroxide 1.) THF, 25 deg C, 3 h, 2.) ether, 25 deg C, 3 h; Yield given. Multistep reaction; |
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With sodium hydroxide; sodium tetrahydroborate; boron trifluoride diethyl etherate; dihydrogen peroxide 1.) THF, 25 deg C, 3 h, 2.) ether, 25 deg C, 3 h; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
at 250℃; under 128714 Torr; Hydrogenation; |
Conditions | Yield |
---|---|
at 250℃; under 102971 - 154457 Torr; Hydrogenation; |
ethyl 2-butylacetoacetate
A
Ethyl hexanoate
B
2-ethyl-1-butanol
C
hexan-1-ol
Conditions | Yield |
---|---|
at 250℃; under 128714 Torr; Hydrogenation; |
Conditions | Yield |
---|---|
at 258℃; |
Conditions | Yield |
---|---|
at 120 - 160℃; under 73550.8 - 147102 Torr; Hydrogenation; |
Conditions | Yield |
---|---|
at 200℃; |
Conditions | Yield |
---|---|
at 200℃; |
2-ethyl-1-butanol
6-bromo-4-chloroquinoline-3-carboxylic acid ethyl ester
Conditions | Yield |
---|---|
Stage #1: 2-ethyl-1-butanol With sodium hydride In tetrahydrofuran at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 6-bromo-4-chloroquinoline-3-carboxylic acid ethyl ester In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; | 100% |
2-ethyl-1-butanol
di(n-butyl)tin oxide
1,1,3,3-tetrabutyl-1,3-bis(2-ethylbutyloxy)distannoxane
Conditions | Yield |
---|---|
at 140℃; under 525.053 Torr; for 1.5h; Product distribution / selectivity; Gas phase; | 99% |
at 157℃; under 487.549 - 760.051 Torr; Industry scale; Inert atmosphere; | 99% |
at 157℃; for 2h; Inert atmosphere; Large scale; | 99% |
In toluene at 130℃; for 3.5h; | 295 g |
In toluene at 130℃; for 0.5h; | 295 g |
2-ethyl-1-butanol
dioctyltin(IV) oxide
1,1,3,3-tetraoctyl-1,3-bis(2-ethylbutyloxy)distannoxane
Conditions | Yield |
---|---|
at 157℃; under 487.549 - 760.051 Torr; Industry scale; Inert atmosphere; | 99% |
at 165℃; under 760.051 Torr; for 0.666667h; Product distribution / selectivity; Industry scale; Inert atmosphere; | 99% |
at 165℃; under 760.051 Torr; for 0.666667h; Product distribution / selectivity; Industry scale; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
dioctyl-bis(2-ethylbutyloxy)tin; 1,1,3,3-tetraoctyl-1,3-bis(2-ethylbutyloxy)distannoxane at 120℃; for 4h; Product distribution / selectivity; Industry scale; Autoclave; | 99% |
dibutyl-bis(2-ethylbutyloxy)tin; 1,1,3,3-tetrabutyl-1,3-bis(2-ethylbutyloxy)distannoxane at 120℃; under 30003 Torr; Product distribution / selectivity; Autoclave; Industry scale; | |
dioctyl-bis(2-ethylbutyloxy)tin; 1,1,3,3-tetraoctyl-1,3-bis(2-ethylbutyloxy)distannoxane at 120℃; for 4h; Product distribution / selectivity; Autoclave; Industry scale; | |
1,1,3,3-tetraoctyl-1,3-bis(2-ethylbutyloxy)distannoxane In water at 120℃; for 220h; Industry scale; Autoclave; |
2-ethyl-1-butanol
Conditions | Yield |
---|---|
Stage #1: methyl 7-hydroxy-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate; 2-ethyl-1-butanol With triphenylphosphine polystyrene In tetrahydrofuran for 0.25h; Stage #2: With ethyl azodicarboxylate In tetrahydrofuran at 20℃; | 98% |
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 20℃; for 5h; | 98% |
Conditions | Yield |
---|---|
With pyridine; tetrachlorosilane Substitution; | 95% |
With tetrachlorosilane at 250℃; |
2-ethyl-1-butanol
acetoacetic acid methyl ester
2-ethylbutyl 3-oxobutanoate
Conditions | Yield |
---|---|
With m-nitrobenzene boronic acid; toluene for 5h; Heating; Green chemistry; | 95% |
2-ethyl-1-butanol
Conditions | Yield |
---|---|
In dimethylsulfoxide-d6; [D3]acetonitrile at 40℃; for 15h; Inert atmosphere; | 95% |
2-ethyl-1-butanol
2-<(trimethylsilyl)methyl>-1-cyclohexenemethanol
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; trimethylphosphine(hexafluoroacetylacetone)copper; Selectfluor In N,N,N,N,N,N-hexamethylphosphoric triamide; acetonitrile at 110℃; for 8h; Reagent/catalyst; Solvent; | 94.6% |
2-ethyl-1-butanol
(2-Trimethylsilanylmethyl-cyclopent-1-enyl)-methanol
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; trimethylphosphine(hexafluoroacetylacetone)copper; Selectfluor In N,N,N,N,N,N-hexamethylphosphoric triamide; acetonitrile at 80℃; for 12h; Reagent/catalyst; Solvent; | 94.4% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In acetonitrile at 60℃; for 15h; | 94% |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 14h; Schlenk technique; Inert atmosphere; | 93% |
N-tert-butoxycarbonyl-L-leucine
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h; | 93% |
ethyl 7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate
2-ethyl-1-butanol
Conditions | Yield |
---|---|
Stage #1: ethyl 7-hydroxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate; 2-ethyl-1-butanol With triphenylphosphine polystyrene In tetrahydrofuran at 20℃; for 0.25h; not specified; Stage #2: With ethyl azodicarboxylate In tetrahydrofuran at 20℃; | 92% |
L-alanin
2-ethyl-1-butanol
toluene-4-sulfonic acid
(S)-2-ethylbutyl 2-aminopropanoate tosylate salt
Conditions | Yield |
---|---|
In toluene for 14h; Reflux; | 91% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene for 14h; Reflux; | 91% |
Conditions | Yield |
---|---|
Stage #1: 2-ethyl-1-butanol; L-<3,3,3-2H3>alanine at 0℃; for 0.0833333h; Stage #2: With thionyl chloride at 60℃; for 6h; | 90.2% |
2-ethyl-1-butanol
3-(iodomethyl)pentane
Conditions | Yield |
---|---|
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 0℃; for 0.5h; Appel Halogenation; | 90% |
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane for 1h; Inert atmosphere; | 89% |
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 20℃; for 1.5h; | 34% |
Conditions | Yield |
---|---|
With rhodium(III) chloride hydrate; potassium carbonate; triphenylphosphine at 140℃; for 24h; Inert atmosphere; | 90% |
Conditions | Yield |
---|---|
With cerium(III) bromide; tetrabutylammomium bromide In acetonitrile for 24h; Reagent/catalyst; Inert atmosphere; | 90% |
Conditions | Yield |
---|---|
With phosphorus; tetraethylammonium iodide In water; acetonitrile electrolysis; | A 89% B n/a C n/a |
2-ethyl-1-butanol
di(n-butyl)tin oxide
A
dibutyl-bis(2-ethylbutyloxy)tin
B
1,1,3,3-tetrabutyl-1,3-bis(2-ethylbutyloxy)distannoxane
Conditions | Yield |
---|---|
at 140℃; under 450.045 Torr; for 1.5h; Product distribution / selectivity; Gas phase; | A 11% B 88% |
at 120℃; for 6h; |
(3S,4aR,6S,8aR)-6-[2-(1H-Tetrazol-5-yl)-phenylamino]-decahydro-isoquinoline-3-carboxylic acid
2-ethyl-1-butanol
Conditions | Yield |
---|---|
With hydrogenchloride Heating; | 87% |
2-ethyl-1-butanol
bis(2-ethylbutyl)amine
Conditions | Yield |
---|---|
With ammonium carbonate In 5,5-dimethyl-1,3-cyclohexadiene for 24h; Inert atmosphere; Sealed tube; Reflux; | 87% |
2-ethyl-1-butanol
N-tert-butoxycarbonyl-L-phenylalanine
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h; | 87% |
Reported in EPA TSCA Inventory.
DOT Classification: 3; Label: Flammable Liquid
The 2-Ethyl-1-butanol, with the CAS registry number 97-95-0, is also known as Ethyl butanol. It belongs to the classification code of Skin / Eye Irritant. Its EINECS registry number is 202-621-4. This chemical's molecular formula is C6H14O and molecular weight is 102.17. What's more, both its IUPAC name and systematic name are the same which is called 2-Ethyl-1-butanol. It should be stored in a cool, dry and well-ventilated place. 2-Ethyl-1-butanol is an organic chemical compound. It can be used to facilitate the separation of ethanol from water, which form an azeotrope that otherwise limits the maximum ethanol concentration.
Physical properties about 2-Ethyl-1-butanol are: (1)ACD/LogP: 1.702; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.70; (4)ACD/LogD (pH 7.4): 1.70; (5)ACD/BCF (pH 5.5): 11.57; (6)ACD/BCF (pH 7.4): 11.57; (7)ACD/KOC (pH 5.5): 200.76; (8)ACD/KOC (pH 7.4): 200.76; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 31.34 cm3; (15)Molar Volume: 125.459 cm3; (16)Polarizability: 12.424×10-24cm3; (17)Surface Tension: 26.62 dyne/cm; (18)Density: 0.814 g/cm3; (19)Flash Point: 58.333 °C; (20)Enthalpy of Vaporization: 44.676 kJ/mol; (21)Boiling Point: 146.499 °C at 760 mmHg; (22)Vapour Pressure: 1.81 mmHg at 25 °C.
Preparation of 2-Ethyl-1-butanol: this chemical can be prepared by 2-ethyl-butyric acid methyl ester. The reaction occurs with reagent NaBH4 and other condition of heating for 0.5 hours. The yield is 87 %.
Uses of 2-Ethyl-1-butanol: it is used to produce other chemicals. For example, it can react with phosphoric acid trimethyl ester to get 1-methoxy-2-ethylbutane. This reaction needs reagent PPA at temperature of 180-190 °C. The reaction time is 3.5 hours. The yield is 71 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. It is harmful in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC(CC)CC
(2) InChI: InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3
(3) InChIKey: TZYRSLHNPKPEFV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | intraperitoneal | 450mg/kg (450mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4612, 1982. | |
mouse | LD | intraperitoneal | > 400mg/kg (400mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 453, 1975. | |
rabbit | LD50 | oral | 1200mg/kg (1200mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 377, 1944. | |
rabbit | LD50 | skin | 1260uL/kg (1.26mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4612, 1982. | |
rat | LD50 | oral | 1850mg/kg (1850mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. |
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