2-Ethylbutyraldehyde supplier

Name
2-ETHYLBUTYRALDEHYDE
EINECS 202-623-5
CAS No. 97-96-1
Article Data58
CAS DataBase
Density 0.799 g/cm³
Solubility Insoluble in water, miscible in alcohol and ether
Melting Point -89oC
Formula C₆H₁₂O
Boiling Point 118.1 °C at 760 mmHg
Molecular Weight 100.161
Flash Point 21.1 °C
Transport Information
Appearance clear colorless liquid with cocoa and chocolate aroma
Safety 16-26-36
Risk Codes 11-36/37/38
Molecular Structure
Hazard Symbols F, Xi
Synonyms Butyraldehyde,2-ethyl- (6CI,7CI,8CI);Butyraldehyde, a-ethyl- (4CI);2-Ethylbutanal;2-Ethylbutyraldehyde;2-Ethylbutyric aldehyde;3-Formylpentane;Diethylacetaldehyde;NSC 6757;a-Ethylbutanal;a-Ethylbutyraldehyde;
PSA 17.07000
LogP 1.62150

Synthetic route

: 845791-28-8
1,1-diacetoxy-2-ethyl-butane

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With 2,6-dicarboxypyridinium chlorochromate In acetonitrile at 20℃; for 0.25h;	96%

: 74947-34-5
N-(Benzylidene)-2-ethyl-1-butenylamine

A: 97-96-1
2-Ethylbutyraldehyde

B: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane for 1h; Heating;	A 93% B n/a

: 143399-67-1
N-(4-Chlorobenzylidene)-2-ethyl-1-butenylamine

A: 97-96-1
2-Ethylbutyraldehyde

B: 104-88-1
4-chlorobenzaldehyde

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane for 1h; Heating;	A 87% B n/a

: 3587-67-5
HOCEt2CH2OMe

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With phosphoric acid at 100℃; for 3h;	78%

: 201230-82-2
carbon monoxide

: 109-68-2
2-pentene

A: 97-96-1
2-Ethylbutyraldehyde

B: 123-15-9
2-methylvaleraldehyde

C: 66-25-1
hexanal

Conditions

Conditions	Yield
With hydrogen In methoxybenzene at 120℃; under 37503 Torr; for 6h; Product distribution; Further Variations:; Reagents; Pressures; Temperatures;	A n/a B n/a C 20%

...Expand

: 64468-90-2
5,5-diethyl-3-nitroso-oxazolidin-2-one

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With potassium hydroxide

: 63883-69-2
(E)-2-ethyl-2-butenal

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With ethanol; palladium Hydrogenation;

: 97-95-0
2-ethyl-1-butanol

A: 97-96-1
2-Ethylbutyraldehyde

B: 55145-34-1
2-ethylbutyl 2-ethylbutanoate

Conditions

Conditions	Yield
With copper chromite at 260℃;

: 66553-16-0
2-ethyl-2-hydroxy-1-butanol

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With sulfuric acid

: 155950-22-4
3-ethoxymethyl-pentan-3-ol

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With sulfuric acid

: 20521-42-0
2-vinyl-crotonaldehyde

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With nickel diacetate; iron; acetic acid

: 19780-25-7
2-ethylcrotonaldehyde

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen at 60℃; for 5h;
With nickel Hydrogenation;

: 155950-22-4
3-ethoxymethyl-pentan-3-ol

: 144-62-7
oxalic acid

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
at 110 - 115℃;
at 110 - 115℃;

: 3587-63-1
1-phenoxy-2-ethyl-butanol-(2)

: 144-62-7
oxalic acid

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
at 110 - 115℃;

: 925-90-6
ethylmagnesium bromide

: 2315-36-8
2-Chloro-N,N-diethylacetamide

A: 97-96-1
2-Ethylbutyraldehyde

B: 23590-25-2
3-diethylaminomethyl-pentan-3-ol

C: diethyl-(2-ethyl-but-2-enyl)-amine

D: 27794-54-3
N,N-diethyl-2-diethylaminoacetamide

...Expand

: 74-96-4
ethyl bromide

: 3400-56-4
α-bromobutyraldehyde diethyl acetal

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
(i) Mg, BrCH2CH2Br, Et2O, (ii) /BRN= 1209224/, (iii) aq. HCl, Et2O; Multistep reaction;

: 1733-17-1
3-(methoxymethylene)pentane

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With perchloric acid In benzene
With hydrogen cation
With water; sodium chloride; hydrogenchloride at 25℃; Rate constant; isotope effects investigated;

: 31499-97-5
2-ethyl-N,N-dimethyl-butyramide

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With lithium diethoxyaluminum hydride In diethyl ether

: 53516-59-9
but-1-enyl-butyl-isobutyl-amine

: 75-03-6
ethyl iodide

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
In acetonitrile
(i) MeCN, (ii) aq. NaOAc, AcOH; Multistep reaction;

: 59278-44-3
tris(ethylenedioxyboryl)methane

: 96-22-0
pentan-3-one

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
(i) MeLi, Et2O, THF, CH2Cl2, (ii) /BRN= 635749/, (iii) NaBO3*4H2O; Multistep reaction;
Yield given. Multistep reaction;

: 646-04-8
(E)-pent-2-ene

: 201230-82-2
carbon monoxide

A: 97-96-1
2-Ethylbutyraldehyde

B: 123-15-9
2-methylvaleraldehyde

Conditions

Conditions	Yield
With hydrogen; cobaltcluster at 150℃; under 51154.1 - 57829.6 Torr; for 22.5h; Mechanism; Product distribution; determination of selectivity, velocity and decomposition of cluster; also with phosphanes; other temperatures, pressures and times;
With hydrogen; acetylacetonatodicarbonylrhodium(l) In dichloromethane at 120℃; under 15514.9 Torr; for 16h;

...Expand

: C13H17N2O3

A: 97-96-1
2-Ethylbutyraldehyde

B: 12402-47-0
4-Nitrobenzonitrile radical anion

Conditions

Conditions	Yield
In water at 20℃; Rate constant; Thermodynamic data; ΔH++, ΔS++;
In water at 19.9℃; Rate constant; pH = 4 - 5;

: 57240-62-7
2-chloro-2-ethylbutyraldehyde

: 100-46-9
benzylamine

A: 97-96-1
2-Ethylbutyraldehyde

B: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
multistep reaction; other substrates;

...Expand

: 106-98-9
1-butylene

: 201230-82-2
carbon monoxide

A: 97-96-1
2-Ethylbutyraldehyde

B: 110-62-3
pentanal

Conditions

Conditions	Yield
With acetylacetonatodicarbonylrhodium(l); hydrogen; (R,S)-binaphos In benzene at 60℃; under 76000 Torr; for 40h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With acetylacetonatodicarbonylrhodium(l); hydrogen; (R,S)-binaphos In benzene at 60℃; under 76000 Torr; for 40h; Yields of byproduct given;

...Expand

: 97-95-0
2-ethyl-1-butanol

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
With acetic acid; quinolinium chlorochromate(VI) at 19.85℃; Kinetics; Further Variations:; Temperatures; Oxidation;

: 66-25-1
hexanal

A: 97-96-1
2-Ethylbutyraldehyde

B: 123-15-9
2-methylvaleraldehyde

Conditions

Conditions	Yield
With 1-penten; η5-pentamethylcyclopentadienylbis(η2-propene)rhodium(I) In benzene at 80℃; for 5h; Isomerization;

: 144-62-7
oxalic acid

-diethylcarbinol: -diethylcarbinol

: 97-96-1
2-Ethylbutyraldehyde

Conditions

Conditions	Yield
at 110 - 115℃;

: 60-29-7
diethyl ether

: 109-68-2
2-pentene

carbon monoxide: carbon monoxide

hydrogen: hydrogen

CO2(CO)8-kieselguhr: CO2(CO)8-kieselguhr

A: 97-96-1
2-Ethylbutyraldehyde

B: 123-15-9
2-methylvaleraldehyde

Conditions

Conditions	Yield
at 125℃; under 220652 Torr;

...Expand

: 109-68-2
2-pentene

: 71-43-2
benzene

carbon monoxide: carbon monoxide

hydrogen: hydrogen

CO2(CO)8-kieselguhr: CO2(CO)8-kieselguhr

A: 97-96-1
2-Ethylbutyraldehyde

B: 123-15-9
2-methylvaleraldehyde

Conditions

Conditions	Yield
at 125℃; under 220652 Torr;

...Expand

: 97-96-1
2-Ethylbutyraldehyde

: 3,6-diethyl-octane-4,5-diol

Conditions

Conditions	Yield
With phenyldimethylsilyl chloride; zinc; bis(cyclopentadienyl)vanadium dichloride In tetrahydrofuran at 20℃; for 13h; Reduction;	100%

: 97-96-1
2-Ethylbutyraldehyde

: 74067-45-1
2-amino-5-chloro-α-(2'-chlorophenyl)benzyl alcohol

: 152906-78-0
[5-chloro-2-(2-ethyl-butylamino)-phenyl]-(2-chloro-phenyl)-methanol

Conditions

Conditions	Yield
With sodium cyanoborohydride; acetic acid In methanol at 20℃;	100%

: 97-96-1
2-Ethylbutyraldehyde

: 557-20-0
diethylzinc

: 108-24-7
acetic anhydride

: (+)-4-ethyl-3-hexyl acetate

Conditions

Conditions	Yield
Stage #1: 2-Ethylbutyraldehyde; diethylzinc With (Sp,S)-5-[C6H11-CH(Me)-N=C(Me)]-4-OH-[2.2]paracyclophane In hexane at 0℃; for 14h; Stage #2: acetic anhydride In hexane at 20℃; for 24h; Further stages.;	100%

...Expand

: 97-96-1
2-Ethylbutyraldehyde

: 16520-62-0
4-Phenyl-1-butyne

: 3-ethyl-8-phenyl-oct-5-yn-4-ol

Conditions

Conditions	Yield
Stage #1: 4-Phenyl-1-butyne With zinc trifluoromethanesulfonate; triethylamine; (1S,2S)-2-N,N-dimethylamino-1-(p-nitrophenyl)-3-(tert-butyldimethylsilyloxy)propan-1-ol In toluene for 0.25h; Stage #2: 2-Ethylbutyraldehyde In toluene at 25℃; for 2h; Further stages.;	99%
With (difluoromethanesulfonyloxy)zincio difluoromethanesulfonate; triethylamine; (1S,2S)-2-N,N-dimethylamino-1-(p-nitrophenyl)-3-(tert-butyldimethylsilyloxy)propan-1-ol In toluene at 25℃; for 2h;	83%

: 97-96-1
2-Ethylbutyraldehyde

: 536-74-3
phenylacetylene

: 4-ethyl-1-phenyl-hex-1-yn-3-ol

Conditions

Conditions	Yield
Stage #1: phenylacetylene With zinc trifluoromethanesulfonate; triethylamine; (1S,2S)-2-N,N-dimethylamino-1-(p-nitrophenyl)-3-(tert-butyldimethylsilyloxy)propan-1-ol In toluene for 0.25h; Stage #2: 2-Ethylbutyraldehyde In toluene at 25℃; for 2h; Further stages.;	99%
With (difluoromethanesulfonyloxy)zincio difluoromethanesulfonate; triethylamine; (1S,2S)-2-N,N-dimethylamino-1-(p-nitrophenyl)-3-(tert-butyldimethylsilyloxy)propan-1-ol In toluene at 25℃; for 2h;	89%

: 97-96-1
2-Ethylbutyraldehyde

: 1066-54-2
trimethylsilylacetylene

: 103-49-1
dibenzylamine

: 654678-64-5
(-)-N,N-dibenzyl-4-ethyl-1-(trimethylsilyl)hex-1-yn-3-amine

Conditions

Conditions	Yield
With (R)-1-(2-(diphenylphosphanyl)naphthalen-1-yl)isoquinoline; 4 A molecular sieve; copper(I) bromide In toluene at 20℃;	99%
With (R)-1-(2-(diphenylphosphanyl)naphthalen-1-yl)isoquinoline; 4 A molecular sieve; copper(I) bromide In decane; toluene at 20℃; for 144h;	99%
With (R)-1-(2-(diphenylphosphanyl)naphthalen-1-yl)isoquinoline; copper(I) bromide In toluene at 20℃;	95%

...Expand

: 97-96-1
2-Ethylbutyraldehyde

: 1066-54-2
trimethylsilylacetylene

: 103-49-1
dibenzylamine

: 780782-31-2
(+/-)-N,N-dibenzyl-4-ethyl-1-(trimethylsilyl)hex-1-yn-3-amine

Conditions

Conditions	Yield
With 4 A molecular sieve; copper(I) bromide In decane; toluene at 20℃;	99%
With 4 A molecular sieve; copper(I) bromide In toluene at 20℃;	99%
With decane; 4 A molecular sieve; copper(I) bromide In toluene at 20℃;	86%

...Expand

: 97-96-1
2-Ethylbutyraldehyde

: 62-53-3
aniline

: 6668-36-6
N-(2-ethylbutyl)aniline

Conditions

Conditions	Yield
With phenylsilane; pyridine N-oxide; dibutyltin chloride In tetrahydrofuran at 20℃; for 20h;	99%

: 97-96-1
2-Ethylbutyraldehyde

: 62-53-3
aniline

: C6H5NC6H12

Conditions

Conditions	Yield
With silica gel In ethanol at 20℃; Ultrasound irradiation;	99%

: 97-96-1
2-Ethylbutyraldehyde

: 941-69-5
N-phenyl-maleimide

: 1322611-71-1
(R)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-ethylbutanal

Conditions

Conditions	Yield
With 1-[(1R,2R)-2-aminocyclohexyl]-3-[4-(n-perfluorooctyl)phenyl]-thiourea; benzoic acid In dichloromethane at 20℃; for 168h; asymmetric Michael addition; optical yield given as %ee; enantioselective reaction;	99%
With 1-((1R,2R)-2-aminocyclohexyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea; benzoic acid In dichloromethane at 20℃; for 3h; asymmetric Michael addition; optical yield given as %ee; enantioselective reaction;	95%
With 1H-imidazole; 1-[(1S,2S)-2-aminocyclohexyl]-2,3-diisopropylguanidine In water; N,N-dimethyl-formamide at 0℃; for 96h; Michael Addition; enantioselective reaction;	85%

: 97-96-1
2-Ethylbutyraldehyde

: 7677-24-9
trimethylsilyl cyanide

: (S)-2-trimethylsilyloxy-2-(1-ethylpropyl)acetonitrile

Conditions

Conditions	Yield
With tetrabutoxytitanium; water; 2,4-di-tert-butyl-6-({[(1S)-1-(hydroxymethyl)-2-methylpropyl]imino}methyl)phenol In dichloromethane at 20℃; Inert atmosphere;	99%

: 97-96-1
2-Ethylbutyraldehyde

: 464-72-2
tetraphenylethane-1,2-diol

A: 119-61-9
benzophenone

B: 3-ethyl-1,1-diphenylpentane-1,2-diol

Conditions

Conditions	Yield
With titanium(IV) tetrabutoxide; triethylsilyl chloride In dichloromethane at 20℃;	A n/a B 99%

...Expand

: 97-96-1
2-Ethylbutyraldehyde

: 1514-82-5
2-bromo-3,3,3-trifluoropropene

: 1147879-99-9
5-ethyl-1,1,1-trifluoro-2-heptyn-4-ol

Conditions

Conditions	Yield
Stage #1: 2-bromo-3,3,3-trifluoropropene With n-butyllithium; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.333333h; Inert atmosphere; Stage #2: 2-Ethylbutyraldehyde In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;	99%

: 97-96-1
2-Ethylbutyraldehyde

: 58368-67-5
pentan-3-yl formate

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 1h;	99%

: 97-96-1
2-Ethylbutyraldehyde

: 55145-34-1
2-ethylbutyl 2-ethylbutanoate

Conditions

Conditions	Yield
With C18BF16(1-)*C34H53F2NiOP2(1+) In toluene at 20℃; for 1h; Glovebox; Inert atmosphere;	98%
With aluminum ethoxide
With aluminum isopropoxide

: 97-96-1
2-Ethylbutyraldehyde

: 131721-21-6
1-(diethylphosphono)decan-2-one

: (E)-3-Ethyl-tetradec-4-en-6-one

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 50℃; for 1h;	98%
With sodium hydride In tetrahydrofuran at 50℃; for 1h; other aldehydes and β-ketophosphonates; variation of conditions;

: 97-96-1
2-Ethylbutyraldehyde

: C19H24NO8P(2-)*2K(1+)

: 1-(2,5-Dimethoxy-benzyl)-3-((E)-4-ethyl-hex-2-enoyl)-4-hydroxy-1,5-dihydro-pyrrol-2-one

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃; for 12h;	98%

: 97-96-1
2-Ethylbutyraldehyde

: 110470-34-3, 110548-53-3, 110548-54-4, 112564-56-4
diethyl [1-amine(4-methoxyphenyl)methyl]phosphonate

: 699000-76-5
diethyl {[(E)-2-ethyl-1-butylidene]amino}(4-methoxyphenyl)methylphosphonate

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane for 3h; Heating;	98%

: 97-96-1
2-Ethylbutyraldehyde

: 189180-13-0
[Amino-(4-bromo-phenyl)-methyl]-phosphonic acid diethyl ester

: 699000-79-8
diethyl (4-bromophenyl){[(E)-2-ethyl-1-butylidene]amino}methylphosphonate

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane for 3h; Heating;	98%

: 97-96-1
2-Ethylbutyraldehyde

: 2627-86-3
(S)-1-phenyl-ethylamine

: 151-50-8
potassium cyanide

: 443991-10-4
(2S)-3-ethyl-2-{[(1S)-1-phenylethyl]amino}pentanenitrile

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 20℃; for 72h; Strecker reaction;	98%

...Expand

: 940881-02-7
(E)-1-(4-tolylthio)-3,3,3-trifluoroprop-1-ene

: 97-96-1
2-Ethylbutyraldehyde

: (E)-5-ethyl-1,1,1-trifluoro-3-(p-tolylthio)hept-2-en-4-ol

Conditions

Conditions	Yield
Stage #1: (E)-1-(4-tolylthio)-3,3,3-trifluoroprop-1-ene With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; hexane at -78℃; Stage #2: 2-Ethylbutyraldehyde In tetrahydrofuran; hexane at -78℃; for 0.25h; Further stages.;	98%
Stage #1: (E)-1-(4-tolylthio)-3,3,3-trifluoroprop-1-ene With N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at -78 - 20℃; Inert atmosphere; Stage #2: With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.166667h; Inert atmosphere; Stage #3: 2-Ethylbutyraldehyde Further stages;	98%

: 97-96-1
2-Ethylbutyraldehyde

: 106-70-7
methyl hexanoate

: C13H26O3

Conditions

Conditions	Yield
With di-n-butylboryl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine In dichloromethane at -78℃; optical yield given as %de; stereoselective reaction;	98%

: 97-96-1
2-Ethylbutyraldehyde

: 941-69-5
N-phenyl-maleimide

: 1350897-04-9
(S)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-ethylbutanal

Conditions

Conditions	Yield
With (S)-3-amino-3-phenylpropanoic acid; caesium carbonate In dichloromethane at 20℃; for 48h; Michael Addition; enantioselective reaction;	98%
Stage #1: 2-Ethylbutyraldehyde With tert-butyl (2S,3R)-2-amino-3-hydroxybutanoate; potassium hydroxide In dichloromethane at 23℃; for 0.0333333h; Michael addition; Stage #2: N-phenyl-maleimide In dichloromethane at 23℃; for 6h; Michael addition; optical yield given as %ee; enantioselective reaction;	96%
With NH2-Phg-(D-Pro)-Gly-Leu-OH In acetonitrile at 20℃; for 72h; Michael Addition; enantioselective reaction;	95%
With (R)-3-phenyl-3-aminopropionic acid; potassium hydroxide In dichloromethane at 20℃; for 48h; Michael Addition; enantioselective reaction;

: 97-96-1
2-Ethylbutyraldehyde

: 7677-24-9
trimethylsilyl cyanide

: 100020-20-0
3-ethyl-2-(trimethylsilyloxy)pentanenitrile

Conditions

Conditions	Yield
With rasta resin-PPh3BnCl In chloroform at 50℃; for 0.5h; Inert atmosphere;	97%
zinc(II) iodide at 90 - 100℃; for 3h;	82%
With zinc(II) iodide
With potassium carbonate In diethyl ether at 20℃; for 6h; Inert atmosphere;

: 97-96-1
2-Ethylbutyraldehyde

: 21872-32-2, 21872-33-3, 42412-74-8, 17329-20-3
1-phenylethyl isocyanide

: 5-(1-Ethyl-propyl)-4-methyl-4-phenyl-4,5-dihydro-oxazole

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide In benzene for 2h; Ambient temperature;	97%

: 97-96-1
2-Ethylbutyraldehyde

: 5003-71-4
3-bromopropylamine hydrochloride

: N-(2-ethyl-1-butylidene)-3-bromopropylamine

Conditions

Conditions	Yield
With magnesium sulfate; triethylamine In dichloromethane for 1h; Ambient temperature;	97%

: 97-96-1
2-Ethylbutyraldehyde

: 50917-72-1
aminomethylphosphonic acid diethyl ester

: 699000-70-9
diethyl {[(E)-2-ethyl-1-butylidene]amino}methylphosphonate

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane for 3h; Heating;	97%
With magnesium sulfate In dichloromethane Yield given;

: 97-96-1
2-Ethylbutyraldehyde

: 16814-08-7, 42077-95-2, 42077-97-4
diethyl 1-aminophenylmethylphosphonate

: 699000-73-2
diethyl {[(E)-2-ethyl-1-butylidene]amino}(phenyl)methylphosphonate

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane for 3h; Heating;	97%

: 97-96-1
2-Ethylbutyraldehyde

: 1066-54-2
trimethylsilylacetylene

: 103-49-1
dibenzylamine

: 872357-79-4
N,N-dibenzyl-4-ethyl-1-(trimethylsilyl)-1-heptyn-3-amine

Conditions

Conditions	Yield
With (R)-1-(2-(diphenylphosphanyl)naphthalen-1-yl)isoquinoline; 4 A molecular sieve; copper(I) bromide In decane; toluene at 20℃;	97%

...Expand

: 97-96-1
2-Ethylbutyraldehyde

: 75-52-5
nitromethane

: (R)-(-)-3-ethyl-1-nitro-2-pentanol

Conditions

Conditions	Yield
With C36H44N4O4S2; copper(I) bromide In methanol at 20℃; for 36h; Henry reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	97%
With 4-methyl-N-[(1R)-2-{[(1S,2S)-2-{[(2R)-2-(4-methylbenzenesulfonamido)-2-phenylethyl]amino}-1,2-diphenylethy]amino}-1-phenylethyl]benzene-1-sulfonamido; copper(II) acetate monohydrate In ethanol at 20℃; for 48h; Henry reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	89%
With C32H20N4O2 In methanol at 20℃; for 8h; Reagent/catalyst; Henry Nitro Aldol Condensation; enantioselective reaction;	89%

2-Ethylbutyraldehyde Consensus Reports

Reported in EPA TSCA Inventory.

2-Ethylbutyraldehyde Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

2-Ethylbutyraldehyde Specification

The Diethyl acetaldehyde is an organic compound with the formula C₆H₁₂O. The IUPAC name of this chemical is 2-ethylbutanal. With the CAS registry number 97-96-1 and EINECS 202-623-5, it is also named as 3-Formylpentane. The classification code is Skin / Eye Irritant. It is clear colorless liquid which is stable, but air sensitive. And it can form explosive mixtures with air. What's more, this chemical is incompatible with strong bases, strong reducing agents, oxidizing agents. When heated to decomposition it emits acrid smoke and fumes. In addition, Diethyl acetaldehyde should be sealed in the container and stored in the cool and dry place which must be away from oxidant.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.38; (6)ACD/BCF (pH 7.4): 13.38; (7)ACD/KOC (pH 5.5): 222.85; (8)ACD/KOC (pH 7.4): 222.85; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.394; (14)Molar Refractivity: 29.99 cm³; (15)Molar Volume: 125.2 cm³; (16)Polarizability: 11.88×10^-24 cm³; (17)Surface Tension: 23.9 dyne/cm; (18)Density: 0.799 g/cm³; (19)Flash Point: 21.1 °C; (20)Enthalpy of Vaporization: 35.63 kJ/mol; (21)Boiling Point: 118.1 °C at 760 mmHg; (22)Vapour Pressure: 16.9 mmHg at 25°C.

Preparation of Diethyl acetaldehyde: It can be obtained by the condensation of diethylcarbinol and anhydrous oxalic acid or sulfuric acid.

Uses of Diethyl acetaldehyde: It is a kind of spice. And it is mainly used in the preparation of cocoa and chocolate flavor. Besides, it can react with formaldehyde to get 2-ethyl-2-hydroxymethyl-butyraldehyde. This reaction needs reagent Et₃N and solvent H₂O by heating. The reaction time is 3 hours. The yield is 68%.

Diethyl acetaldehyde can react with formaldehyde to get 2-ethyl-2-hydroxymethyl-butyraldehyde

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=CC(CC)CC
2. InChI:InChI=1/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
3. InChIKey:UNNGUFMVYQJGTD-UHFFFAOYAY

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
rabbit	LD50	skin	5990uL/kg (5.99mL/kg)	Union Carbide Data Sheet. Vol. 12/14/1971,
rat	LCLo	inhalation	8000ppm/4H (8000ppm)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat	LD50	oral	3980mg/kg (3980mg/kg)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Product Name

2-ETHYLBUTYRALDEHYDE

Synthetic route

2-Ethylbutyraldehyde Consensus Reports

2-Ethylbutyraldehyde Standards and Recommendations

2-Ethylbutyraldehyde Specification

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