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78-84-2

Basic Information
CAS No.: 78-84-2
Name: Propanal, 2-methyl-
Molecular Structure:
Molecular Structure of 78-84-2 (Propanal, 2-methyl-)
Formula: C4H8O
Molecular Weight: 72.11
Synonyms: Isobutyraldehyde(8CI);2-Formylpropane;2-Methyl-1-propanal;2-Methylpropanal;2-Methylpropionaldehyde;2-Propanecarboxaldehyde;Dimethylacetaldehyde;Isobutanal;Isobutyral;Isobutyric aldehyde;Isobutyryl aldehyde;Isopropylcarboxaldehyde;Isopropylformaldehyde;NSC 6739;iso-Butyraldehyde;a-Methylpropionaldehyde;
EINECS: 201-149-6
Density: 0.782 g/cm3
Melting Point: -65 °C(lit.)
Boiling Point: 67.131 °C at 760 mmHg
Flash Point: -24 °C
Solubility: 75 g/L (20 ºC)
Appearance: colourless liquid
Hazard Symbols: FlammableF,HarmfulXn
Risk Codes: 11-22
Safety: 16-36/37-9-33-29
Transport Information: UN 2045 3/PG 2
PSA: 17.07000
LogP: 0.84130
Synthetic route
105361-41-9

2-benzoyl-N-benzyl-2-methylpropanimine

A

34243-68-0

phenylmethanaminium benzoate

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With water In diethyl ether Ambient temperature;A 100%
B 100%
78-83-1

2-methyl-propan-1-ol

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
Stage #1: 2-methyl-propan-1-ol With cobalt ferrite In water for 0.0333333h;
Stage #2: With oxone(R) In water at 20℃; for 4h;
99.5%
With triethylammonium fluorochromate(VI) In dichloromethane for 1.16667h; Heating;92%
With trimethylammonium fluorochromate In dichloromethane for 1.06667h; Heating;92%
79-31-2

isobutyric Acid

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;99%
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature;94%
With iron(II) oxide at 430 - 490℃;
25179-23-1

lithium dimethylacetate

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;99%
78-85-3

2-methylpropenal

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With hydrogen In acetone at 20℃; under 760.051 Torr; for 0.25h; chemoselective reaction;99%
With hydrogen; sodium triethylborohydride In tetrahydrofuran at 23℃; under 30402 Torr; for 72h; Catalytic behavior; Inert atmosphere; Schlenk technique;76%
With hydrogen In ethyl acetate at 20℃; under 760.051 Torr; for 0.25h; chemoselective reaction;

(2RS,4RS)-2-isopropyl-5,5-dimethylthiazolidine-4-carbocyclic acid

A

98278-26-3

2-amino-3-mercapto-4-methylpentanoic acid

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With water at 90℃; Column which a strongly acidic cation exchanger in the H+ form;A 98.8%
B 96.9%
41632-89-7

isobutyraldehyde dimethyl acetal

A

17574-84-4

1-methoxy-2-methylprop-1-ene

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With water; toluene-4-sulfonic acid; triethylamine at 90℃; under 760.051 Torr; Product distribution / selectivity;A 98.5%
B n/a
558-30-5

2-methyl-1,2-epoxypropane

A

78-83-1

2-methyl-propan-1-ol

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With hydrogen; chromium(III) oxide; copper at 140℃; under 26252.1 Torr; for 0.666667h;A 98.1%
B 1.9%
95915-86-9

1-(1-Butylsulfanyl-2-methyl-propylsulfanyl)-butane

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 20 - 25℃; for 2h; Irradiation;96%
542-56-3

nitrous acid isobutyl ester

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With dimethyl sulfoxide at 70℃; for 6h;95.95%
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;92%
79-30-1

isobutyryl chloride

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With tri-n-butyl-tin hydride; trans benzyl(chloro)bis(triphenylphosphine)palladium(II) In diethyl ether for 0.166667h; Ambient temperature;95%
With ammonium hydroxide; formic acid In diethyl ether; chloroform for 0.416667h; Ambient temperature;86%
With diethylene glycol dimethyl ether; lithium tri-t-butoxyaluminum hydride at -78℃;
513-42-8

3-hydroxy-2-methyl-1-propene

A

56640-70-1

2-methyl-2-propen-1-ol

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
ClO4 at 0℃; for 1h; Title compound not separated from byproducts;A 95%
B 5%
ClO4 at 0℃; for 1h;A 95 % Spectr.
B 5 % Spectr.
ClO4 at 27℃; Mechanism; other solvents;A 95 % Spectr.
B 5 % Spectr.
201230-82-2

carbon monoxide

A

123-72-8

butyraldehyde

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With dicarbonylacetylacetonato rhodium (I); C41H30O8P2; hydrogen In toluene at 90℃; under 3750.38 - 7500.75 Torr; for 3h; Reagent/catalyst; regioselective reaction;A 93.9%
B n/a
With tributylphosphine; hydrogen; cobalt(II) acetate In methanol at 85℃; under 60004.8 Torr; for 24h; Irradiation; Yield given. Yields of byproduct given;
With hydrogen; Dioctadecylamine; Rh-distearylamine-1,3-bis-disulfonatophenyl phosphinopropane; rhodium at 125℃; under 202516 Torr; for 2h; Yield given. Yields of byproduct given;
78362-94-4

{PPN}{HCr(CO)5}

79-30-1

isobutyryl chloride

A

65650-76-2

bis(triphenylphosphine)nitrogen{Cr(CO)5Cl}

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
In tetrahydrofuran 1:1 molar ratio, THF, 25°C;; detected by NMR and IR spectra; and GC analysis,;A n/a
B 93%
151-00-8

isobutyraldehyde oxime

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With N-bromosaccharin In acetone for 0.0416667h; Heating; microwave irradiation;92%
With N-bromosaccharin In water; acetone at 20℃; for 2h;92%
With N,N'-dibromo-N,N'-1,3-propylene-bis[(4-methylphenyl)sulfonamide] In dichloromethane; water for 0.02h; Heating; microwave irradiation;92%
122346-61-6

3-isopropyl-6,6-dimethyl-5-(o-toluidino)-1,2,4-trioxan

A

94-69-9

2'-methylformanilide

B

78-84-2

isobutyraldehyde

C

67-64-1

acetone

Conditions
ConditionsYield
at 110℃; for 0.25h;A 84%
B 91%
C 68%
996-30-5

isobutyric acid sodium salt

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;91%
68003-61-2

N-(Benzylidene)-2-methyl-1-propenylamine

A

100-52-7

benzaldehyde

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 1h; Heating;A 83%
B 90%
6283-77-8

2-methylpropane-1,1-diyl diacetate

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With N,N'-dibromo-N,N'-(1,2-ethanediyl)bis(p-toluenesulfonamide); water at 20℃; for 0.0333333h; solid-phase reaction;90%
With silica phosphoric acid In methanol at 20℃; for 3.5h;87%
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; water; silica gel at 20℃; for 0.0666667h; neat (no solvent); chemoselective reaction;86%
With water at 20℃; for 0.333333h; Green chemistry;90 %Chromat.
78-81-9

isobutylamine

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane at 0 - 20℃; for 0.333333h; Inert atmosphere; Green chemistry;89%
With potassium permanganate; iron(II) sulfate In dichloromethane for 6h; Heating;80%
With dipotassium peroxodisulfate; sodium carbonate In water for 0.333333h; Rate constant; Irradiation; pH: 11.5, rate constant (k M-1s-1);
625-43-4

2-methylpropyl(methyl)amine

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane at 0 - 20℃; for 0.333333h; Inert atmosphere; Green chemistry;89%
558-30-5

2-methyl-1,2-epoxypropane

A

78-84-2

isobutyraldehyde

B

513-42-8

3-hydroxy-2-methyl-1-propene

Conditions
ConditionsYield
lithium phosphate at 210℃; for 3h; Kinetics; Thermodynamic data; 110 - 180 degC , ΔG, ΔH, E(activ.);A 5.79%
B 85.1%
With hydrogen; lithium phosphate at 210℃; for 3h;A 5.79%
B 85.1%
With 3-chlorobenzoate; methanesulfonic acid In dichloromethane-d2 at 26.5℃; Product distribution; various conc. of methanesulfonic acid in the presence and absence of 3-chlorobenzoic acid;A 10%
B 20%
With 3-chlorobenzoate; methanesulfonic acid In dichloromethane-d2 at 26.5℃;A 10%
B 20%
357276-13-2

trans-[Ir(PPh3)2]CO(OCH2CHMe2)

24762-44-5

triphenylphosphine-d15

A

(P(C6H5)3)2P(C6(2)H5)3(CO)IrH

B

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
In (2)H8-toluene Kinetics; toluene-d7, PPh3, 95°C; not sepd., detected by (1)H-NMR and mass-spectra;A n/a
B 81%
556-63-8

lithium formate

1068-55-9

isopropylmagnesium chloride

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
In tetrahydrofuran for 2h; Heating;80%
25076-84-0

1-(N-Methyl-N-phenylamino)-2-methyl-1-propene

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran for 5h; Ambient temperature;78%
78-83-1

2-methyl-propan-1-ol

A

558-38-3

2-chloro-2-methyl-1-propanol

B

917-93-1

2-chloroisobutyraldehyde

C

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
With chlorine dioxide In n-heptane at 30℃; Kinetics;A 10%
B 5%
C 77%
151-00-8

isobutyraldehyde oxime

A

78-84-2

isobutyraldehyde

B

79-31-2

isobutyric Acid

Conditions
ConditionsYield
With hydrogenchloride; sodium chlorite; water at 20℃; for 0.0833333h;A 76%
B 8%
1068-55-9

isopropylmagnesium chloride

141-53-7

sodium formate

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
In tetrahydrofuran for 2h; Heating;75%
513-42-8

3-hydroxy-2-methyl-1-propene

78-84-2

isobutyraldehyde

Conditions
ConditionsYield
(sulphos)Rh(CO)2 In octane; water at 100℃; for 1h; Product distribution; Further Variations:; Solvents; autoclave;73%
With [Ru(η3:η3-C10H16)Cl2(benzimidazole)] In glycerol at 75℃; for 16h; Sealed tube; Inert atmosphere; Green chemistry;36%
With sulfuric acid at 105℃; unter Druck;
115-77-5

Pentaerythritol

78-84-2

isobutyraldehyde

69695-04-1

3,9-diisopropyl-2,4,8,10-tetraoxaspiro<5.5>undecane

Conditions
ConditionsYield
With sulfuric acid at 80℃;100%
With indium(III) chloride at 120℃; for 3h;89%
With hydrogenchloride
78-84-2

isobutyraldehyde

100-46-9

benzylamine

22483-21-2

isobutylidenebenzylamine

Conditions
ConditionsYield
With magnesium sulfate In dichloromethane at 20℃; Inert atmosphere;100%
With aluminum oxide at 20℃; for 7h;90%
In water Condensation;65.12%
78-84-2

isobutyraldehyde

7580-12-3

2,4,6-triisopropyl-1,3,5-trioxane

Conditions
ConditionsYield
With beryllium iodide In chloroform-d1 at 20℃; Schlenk technique; Glovebox; Inert atmosphere; Sealed tube;100%
With dodecatungstosilic acid for 1h; Ambient temperature;99.9%
With N,N,N',N'',N''-pentamethyl-N,N''-bis(3-sulfopropyl)diethylenetriaminium tris(trifluoromethanesulfonate) In neat (no solvent) at 20℃; for 1.5h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Green chemistry;97.6%
78-84-2

isobutyraldehyde

97-85-8

isobutyl isobutanoate

Conditions
ConditionsYield
With [(ImDippN)Th{N(SiMe3)2}3] In benzene-d6 at 20℃; for 24h; Reagent/catalyst;100%
With [{(PhN)MeC(Nt-Bu)}AlMe(μ-OMe)]2 at 20℃; for 0.5h; Reagent/catalyst; Tishchenko-Claisen Dismutation; Inert atmosphere; Schlenk technique; Green chemistry;99%
tris(bis(trimethylsilyl)amido)lanthanum(III) In benzene-d6 at 21℃; for 24h; Tishchenko reaction;84%
78-84-2

isobutyraldehyde

62-53-3

aniline

588-47-6

N-isobutylaniline

Conditions
ConditionsYield
With ammonium formate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 0.5h;100%
With N,N,N,N,N,N-hexamethylphosphoric triamide; dibutyltin chloride In tetrahydrofuran at 0℃; for 1h; Reduction; Amination;99%
With nickel; hydrogen In neat (no solvent) at 200℃; under 760.051 Torr; Flow reactor;95.7%
123-75-1

pyrrolidine

2033-24-1

cycl-isopropylidene malonate

78-84-2

isobutyraldehyde

93498-09-0

2,2-Dimethyl-5-(2-methyl-1-pyrrolidin-1-yl-propyl)-[1,3]dioxane-4,6-dione

Conditions
ConditionsYield
In diethyl ether for 0.166667h;100%
95-14-7

1,2,3-Benzotriazole

78-84-2

isobutyraldehyde

111507-81-4

1-Benzotriazol-1-yl-2-methyl-propan-1-ol

Conditions
ConditionsYield
at 25℃;100%
98-95-3

nitrobenzene

78-84-2

isobutyraldehyde

588-47-6

N-isobutylaniline

Conditions
ConditionsYield
With ammonium formate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 0.166667h;100%
With hydrogen In ethanol at 20℃; for 6h; Green chemistry;98%
With hydrogen In methanol at 20℃; under 760.051 Torr; for 4h;96%
109-80-8

1.3-propanedithiol

78-84-2

isobutyraldehyde

6007-25-6

2-isopropyl-1,3-dithiane

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane at 0 - 20℃; for 1h;100%
With lithium tetrafluoroborate at 25℃; for 15h;98%
With boron trifluoride diethyl etherate In dichloromethane at 0 - 20℃; for 22h; Inert atmosphere; Molecular sieve;96%
10160-87-9

Propiolaldehyde diethyl acetal

78-84-2

isobutyraldehyde

86517-10-4

6,6-Diethoxy-2-methyl-hex-4-yn-3-ol

Conditions
ConditionsYield
Stage #1: Propiolaldehyde diethyl acetal With n-butyllithium In tetrahydrofuran; cyclohexane at -78℃; for 0.5h; Inert atmosphere;
Stage #2: isobutyraldehyde In tetrahydrofuran; cyclohexane at -78℃; for 3h;
Stage #3: With hydrogenchloride In tetrahydrofuran; cyclohexane; water
100%
With n-butyllithium In diethyl ether; hexane for 2h; Ambient temperature;55%
63366-56-3

methylene bis phosphonate de diethyle

78-84-2

isobutyraldehyde

111105-89-6

methylenebis(2,2-diethoxy-3,5-diisopropyl-1,4,2-dioxaphospholane)

Conditions
ConditionsYield
In neat (no solvent) 1) 20 deg C, 48h, 2) 0.5 mm Hg, 20 deg C, 30 min.;100%
83814-58-8

5,5-dimethyl-2-(2-methyl)propylidenecyclohexane-1,3-dione

78-84-2

isobutyraldehyde

83814-62-4

2,4-diisopropyl-7,7-dimethyl-7,8-dihydro-4H-1,3-benzodioxin-5(6H)-one

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In diethyl ether; dichloromethane for 5h;100%
1535-65-5

difluoromethyl phenyl sulfone

78-84-2

isobutyraldehyde

122590-91-4

1,1-difluoro-3-methyl-1-(phenylsulfonyl)butan-2-ol

Conditions
ConditionsYield
With sodium hydroxide In dichloromethane100%
With lithium hexamethyldisilazane In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at -78℃; for 4h;97%
With sodium hydroxide; Aliquat 336 In dichloromethane73%
72959-50-3

2,6-di-tert-butyl-4-methylphenyl propionate

78-84-2

isobutyraldehyde

81818-92-0, 103514-50-7

2',6'-bis(1",1"-dimethylethyl)-4'-methylphenyl (2SR,3SR)-2,4-dimethyl-3-hydroxypentanoate

Conditions
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran at 70℃; for 0.833333h;100%
Stage #1: 2,6-di-tert-butyl-4-methylphenyl propionate With n-butyllithium; polymer-bound N-isopropyl-5-(4-vinylphenyl)pentylamine In tetrahydrofuran; hexane at -78℃; for 0.25h;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at -78℃; for 1.5h; Further stages.;
79%
78-84-2

isobutyraldehyde

762-72-1

allyl-trimethyl-silane

88916-15-8

threo-3-(trimethylsilyl)-4-hydroxy-5-methyl-1-hexene

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide; dicyclopentylboron chloride; tert.-butyl lithium In tetrahydrofuran -78 deg C to r.t.;100%
78-84-2

isobutyraldehyde

164524-05-4

1-[(R)-1-((E)-2-Iodo-vinyl)-hexyloxymethyl]-4-methoxy-benzene

(E)-(R)-6-(4-Methoxy-benzyloxy)-2-methyl-undec-4-en-3-ol

Conditions
ConditionsYield
With chromium dichloride; nickel dichloride In dimethyl sulfoxide Ambient temperature;100%
With chromium chloride; nickel dichloride In dimethyl sulfoxide for 2h; Ambient temperature;100%
78-84-2

isobutyraldehyde

164524-06-5

tert-Butyl-[(R)-1-((E)-2-iodo-vinyl)-hexyloxy]-diphenyl-silane

(E)-(R)-6-(tert-Butyl-diphenyl-silanyloxy)-2-methyl-undec-4-en-3-ol

Conditions
ConditionsYield
With chromium dichloride; nickel dichloride In dimethyl sulfoxide Ambient temperature;100%
With chromium chloride; nickel dichloride In dimethyl sulfoxide; N,N-dimethyl-formamide for 1h; Ambient temperature;100%
6089-04-9

3-(tetrahydropyran-2'-yloxy)propyne

78-84-2

isobutyraldehyde

41056-46-6

1-isopropyl-4-(tetrahydro-2-pyranyloxy)-2-butyn-1-ol

Conditions
ConditionsYield
Stage #1: 3-(tetrahydropyran-2'-yloxy)propyne With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at -78℃; for 1h; Further stages.;
100%
Stage #1: 3-(tetrahydropyran-2'-yloxy)propyne With n-butyllithium In tetrahydrofuran; hexane at -30℃; for 0.5h;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at -30℃; for 1h; Further stages.;
89%
With n-butyllithium 1.) THF, hexane, -78 deg C, 2 h, 2.) THF, hexane, -78 deg C, 2 h; Yield given. Multistep reaction;
Stage #1: 3-(tetrahydropyran-2'-yloxy)propyne With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at -78℃;
870-46-2

t-butoxycarbonylhydrazine

78-84-2

isobutyraldehyde

57699-46-4

N'-(2-methylpropylidene)hydrazinecarboxylic acid tert-butyl ester

Conditions
ConditionsYield
In toluene at 50℃; for 1h;100%
In methanol at 20℃; for 1h;100%
In methanol at 20℃; for 1h; Inert atmosphere;100%
In ethanol for 3h; Heating;99%
867-13-0

diethoxyphosphoryl-acetic acid ethyl ester

78-84-2

isobutyraldehyde

173724-80-6

(E)-2-(Diethoxy-phosphoryl)-4-methyl-pent-2-enoic acid ethyl ester

Conditions
ConditionsYield
With piperidine; acetic acid In benzene for 48h; Heating;100%
With piperidine; acetic acid for 62h; Condensation; Knoevenagel condensation;80%
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With triethylamine; titanium tetrachloride In dichloromethane at 0 - 5℃;
Stage #2: isobutyraldehyde In dichloromethane at 0 - 5℃; Horner-Wadsworth-Emmos reaction;
71242-58-5

(1S,2R,4R)-(-)-10-mercaptoisoboneol

78-84-2

isobutyraldehyde

(1S,4R,6R,8R)-4-Isopropyl-11,11-dimethyl-5-oxa-3-thia-tricyclo[6.2.1.01,6]undecane

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane100%
78-84-2

isobutyraldehyde

311806-49-2

1,4,4-trimethyl-1,2,3,4-tetrahydrophosphinoline 1-oxide

311806-50-5

1-(2-Hydroxy-3-methylbutyl)-4,4-dimethyl-1,2,3,4-tetrahydrophosphinoline oxide

Conditions
ConditionsYield
Stage #1: 1,4,4-trimethyl-1,2,3,4-tetrahydrophosphinoline-1-oxide With n-butyllithium In tetrahydrofuran; hexane for 0.666667h; Metallation;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at 20℃; for 1h; Alkylation; Further stages.;
100%
78-84-2

isobutyraldehyde

76-05-1

trifluoroacetic acid

Ac-(L)Ala-(L)Phe-NH(CH2)3NH-CPh2-p-C6H4-polystyrene

Ac-(L)Ala-(L)Phe-NH(CH2)3NH-CPh2-p-C6H4-polystyrene

N3,6,9-triisobutyl-12-amino-(4S)-methyl-(7S)-benzyl-3,6,9-triazadodecane, tetrakis(trifluoroacetic acid) salt

Conditions
ConditionsYield
Multistep reaction.;100%
78-84-2

isobutyraldehyde

303053-83-0

(E)-3,4-Dimethyl-1-piperidin-1-yl-5-tributylstannanyl-pent-3-en-1-one

(E)-N-(6-hydroxy-3,4,7-trimethyl-3-octenoyl)piperidine

Conditions
ConditionsYield
With dibutyltin chloride; isobutyraldehyde at 20℃; for 1h;100%
78-84-2

isobutyraldehyde

214777-06-7

(8β)-De-A,B-23,23-dibromo-8-(tert-butyldimethylsilyloxy)-24-norchol-22-ene

263712-12-5

(8β)-De-A,B-8-(tert-butyldimethylsilyloxy)-22-cholestyne-24-ol

Conditions
ConditionsYield
Stage #1: (8β)-De-A,B-23,23-dibromo-8-(tert-butyldimethylsilyloxy)-24-norchol-22-ene With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 1.5h;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at -78℃; for 0.333333h;
100%
7205-98-3

chloromethyl phenyl sulfone

78-84-2

isobutyraldehyde

(1RS,2SR)-1,2-epoxy-3-methylbutyl phenyl sulfone

Conditions
ConditionsYield
With potassium hydroxide In toluene at 20℃; for 3h; Darzens reaction;100%
74067-45-1

2-amino-5-chloro-α-(2'-chlorophenyl)benzyl alcohol

78-84-2

isobutyraldehyde

152906-75-7

5-chloro-α-(2-chlorophenyl)-2-(isobutylamino)benzyl alcohol

Conditions
ConditionsYield
With sodium cyanoborohydride; acetic acid In methanol at 20℃;100%
105-45-3

acetoacetic acid methyl ester

78-84-2

isobutyraldehyde

55848-84-5

5-hydroxy-6-methyl-3-oxo-heptanoic acid methyl ester

Conditions
ConditionsYield
Stage #1: acetoacetic acid methyl ester With sodium hydride In tetrahydrofuran at 0℃; for 0.166667h;
Stage #2: With n-butyllithium In tetrahydrofuran; hexane at 20℃; for 0.333333h;
Stage #3: isobutyraldehyde In tetrahydrofuran; hexane at -78 - 20℃; for 1.08333h;
100%
Stage #1: acetoacetic acid methyl ester With lithium diisopropyl amide In tetrahydrofuran; hexane at -60 - 20℃; for 0.416667h; Weiler method; Inert atmosphere;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at -60 - 20℃; for 4h; Weiler method; Inert atmosphere;
Stage #3: With water; ammonium chloride In tetrahydrofuran; hexane Inert atmosphere;
95%
Stage #1: acetoacetic acid methyl ester With sodium hydride In tetrahydrofuran at 0℃;
Stage #2: With n-butyllithium In tetrahydrofuran at -78℃;
Stage #3: isobutyraldehyde In tetrahydrofuran Further stages.;
78-84-2

isobutyraldehyde

560095-49-0

(1-phenyl-2-propen-1-yl)pentamethyl phosphoric triamide

(4-hydroxy-5-methyl-1-phenyl-1-hexen-1-yl)pentamethyl phosphoric triamide

Conditions
ConditionsYield
Stage #1: (1-phenyl-2-propen-1-yl)pentamethyl phosphoric triamide With n-butyllithium In tetrahydrofuran; hexane at -50℃; for 0.166667h;
Stage #2: isobutyraldehyde In tetrahydrofuran; hexane at -50 - 20℃; for 1h;
100%
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    Synonyms:2-Methylpropanal;2-Methylpropionaldehyde;2-Methylpropionaldehyde;2-Methylpropanal Molecular Formula :C4H8O Molecular Weight :72.11 EINE…Appearance:colorless transparent liquid. Storage:Stored in a cool dry place, not open dumps. Package:2

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Specification

The Isobutyraldehyde, with the cas registry number 78-84-2, has the IUPAC name of 2-methylpropanal. This is a kind of transparent liquid with high birefringence and with strong stimulating smell. And it is complete soluble in ethanol, benzene, carbon disulfide, mehylbenzene, chloroform and ethyl ether, and it is sensitive and incompatible with strong oxidizing agents, strong bases, strong acids, strong reducing agents.

The characteristics of this chemical are as follows: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 2.08; (5)ACD/BCF (pH 7.4): 2.08; (6)ACD/KOC (pH 5.5): 58.87; (7)ACD/KOC (pH 7.4): 58.87; (8)#H bond acceptors: 1 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07; (11)Index of Refraction: 1.367; (12)Molar Refractivity: 20.72 cm3; (13)Molar Volume: 92.2 cm3; (14)Polarizability: 8.21 ×10-24 cm3; (15)Surface Tension: 21 dyne/cm; (16)Density: 0.781 g/cm3; (17)Enthalpy of Vaporization: 30.9 kJ/mol; (18)Boiling Point: 67.1 °C at 760 mmHg; (19)Vapour Pressure: 147 mmHg at 25°C; (20)Exact Mass: 72.057515;  (21)MonoIsotopic Mass: 72.057515;  (22)Topological Polar Surface Area: 17.1;  (23)Heavy Atom Count: 5;  (24)Complexity: 30.6.

The production method is as below: valine could react to produce Isobutyraldehyde, with the following condition: reagent: NaOCl.

Use of Isobutyraldehyde is as below: Isobutyraldehyde could react with benzaldehyde to produce 2,2-dimethyl-1-phenyl-propane-1,3-diol, with the following condition: reagent:KOH; solution: ethanol; reaction time: 5 hours; reaction temp.: 50 - 60 ℃; yield: 76%.

As to its usage, it is widely applied in many ways. It could be used in flavorant spice to prepare for caramel, banana and other kinds of fruit essence; It could also be used in producing thiofide, antiager, and isobutyric acid, and then in the pharmaceutic intermediate, such as amino acid, vitamin(e), and so on.

When dealing with this chemical, you should be cautious and then take some measures to protect yourself. For one thing, it is highly flammable. This chemical may catch fire in contact with air, only needing brief contact with an ignition source, and has a very low flash point or evolve highly flammable gases in contact with water. For another thing, it is harmful to human beings. It may cause damage to health, and it is harmful if swallowed. You should take the following instructions.
Wear suitable protective clothing and gloves. When to use, take precautionary measures against static discharges; When to keep, keep container in a well-ventilated place, away from sources of ignition - No smoking. And do not empty into drains.

Additionally, the following data information could be converted into the molecular structure:
(1)Canonical SMILES: CC(C)C=O
(2)InChI: InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 
(3)InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 39500mg/m3/2H (39500mg/m3) BEHAVIORAL: EXCITEMENT

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972.
rabbit LD50 skin 7130uL/kg (7.13mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 960mg/kg (960mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: NECROTIC GHANGES

BLOOD: HEMORRHAGE
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972.