ISOBUTYRONITRILE supplier

Name
Isobutyronitrile
EINECS 201-147-5
CAS No. 78-82-0
Article Data113
CAS DataBase
Density 0.76
Solubility AUTOIGNITION

Melting Point -72 C

Formula C4H7 N

Boiling Point 107 C

Molecular Weight 69.1063

Flash Point 8 ºC

Transport Information UN 2284

Appearance Clear liquid

Safety 1340512

Risk Codes R11;R23/24/25

Molecular Structure

Hazard Symbols

Synonyms Isobutyronitrile(6CI,8CI); 1-Cyano-1-methylethane; 2-Cyanopropane; 2-Methylpropanenitrile;2-Methylpropionitrile; Dimethylacetonitrile; Isobutanenitrile; Isopropylcyanide; Isopropyl nitrile; NSC 60536; a-Methylpropanenitrile; a-Methylpropionitrile

PSA 23.79000

LogP 1.16598

Synthetic route

78-83-1
2-methyl-propan-1-ol

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With ammonia; oxidized form SMS-4 Zn-Cr-O at 360℃; 95.8%

With ammonia; oxidized form SMS-4 Zn-Cr-O at 360℃; Product distribution; 1:4 molar ratio n-butyl alcohol/NH3, other temperature (300-420 deg C);; 95.8%

With ammonia; zinc(II) oxide at 19.9℃; Mechanism;

78-84-2
isobutyraldehyde

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate; N,N-dimethyl-formamide at 100℃; 91%

Stage #1: isobutyraldehyde With hydroxylamine hydrochloride; sodium hydroxide In water at 70℃;
Stage #2: With copper diacetate; hydrazine In acetonitrile at 90℃; for 0.5h; 80%

With ammonium hydroxide; periodic acid; potassium iodide at 60℃; for 65745h; Green chemistry; Sealed tube; 78%

72-18-4
L-valine

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With ammonium bromide In methanol; water Electrochemical reaction; 91%

With perchloric acid; N,N-Dichlorobenzenesulfonamide In methanol; water at 29.9℃; Rate constant; Kinetics; Thermodynamic data; other amino acids; var. temp. and conditions; ΔH(excit.), ΔS(excit.), ΔG(excit.), Ea; equilibrium constant;

With perchloric acid; N,N-Dichlorobenzenesulfonamide; sodium perchlorate In water; acetic acid at 39.9℃; Rate constant; Kinetics; Thermodynamic data; var. temp. and conditions; Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.);

78-67-1
2,2'-azobis(isobutyronitrile)

{[(difluoromethyl)selanyl]methyl}benzene

104-87-0
4-methyl-benzaldehyde

A

78-82-0
Isobutyronitrile

B

3333-52-6
2,2,3,3-tetramethylsuccinonitrile

C

Se-(difluoromethyl) 4-methylbenzoselenoate

Conditions

Conditions Yield

In 1,2-dichloro-ethane at 50℃; for 24h; Inert atmosphere; A n/a
B n/a
C 88%

...Expand

151-00-8
isobutyraldehyde oxime

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With S,S-dimethyl dithiocarbonate; triethylamine In 1,4-dioxane at 90℃; 85%

With ethyl cyanoformate; triethylamine In acetonitrile Ambient temperature; 75%

With phenylacetaldoxime dehydratase(Bacillus OxB-1 expres.E.coli) In water at 30℃; for 17h; pH=8.0;

563-83-7
ISOPROPYLAMIDE

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With potassium hydroxide; p-t-butylcalix<6>arene derivative In dichloromethane at 40℃; for 4h; 84%

With 3 A molecular sieve at 90 - 500℃; under 0.01 Torr; for 0.25h; Pyrolysis; 59%

With phosphorus pentoxide durch Destillation;

78-81-9
isobutylamine

A

78-82-0
Isobutyronitrile

B

6898-82-4
N-isobutylideneisobutylamine

Conditions

Conditions Yield

With oxygen In para-xylene at 110℃; for 2h; A 8%
B 77%

52548-05-7
1-(Dichloroamino)-2-methylpropane

A

78-82-0
Isobutyronitrile

B

115-11-7
isobutene

Conditions

Conditions Yield

A 75%
B 15%

2564-83-2, 45842-10-2
2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

78-67-1
2,2'-azobis(isobutyronitrile)

104-88-1
4-chlorobenzaldehyde

A

78-82-0
Isobutyronitrile

B

1416975-71-7
2,2,6,6-tetramethylpiperidin-1-yl 4-chlorobenzoate

Conditions

Conditions Yield

With S-(trifluoromethyl) benzenesulfonothioate In 1,2-dichloro-ethane at 80℃; for 16h; Irradiation; A 73%
B n/a

...Expand

13063-57-5
isobutyraldehyde dimethylhydrazone

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 5h; 65%

516-06-3
D,L-valine

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With pyridine; trichloroisocyanuric acid In water 58.4%

78-67-1
2,2'-azobis(isobutyronitrile)

A

78-82-0
Isobutyronitrile

B

10551-67-4
dimethyl N-(2-cyano-2-propyl)ketenimine

C

3333-52-6
2,2,3,3-tetramethylsuccinonitrile

D

84213-57-0
N-(1-cyano-1-methylethyl)-2-methylpropanamide

Conditions

Conditions Yield

With silica gel at 10℃; Product distribution; Irradiation; further in benzene, D-labelled, var. conditions of irradiation; A 5%
B 16%
C 53%
D 31%

...Expand

78-84-2
isobutyraldehyde

A

110-96-3
diisobutylamine

B

78-82-0
Isobutyronitrile

C

1116-40-1
triisobutylamine

D

6898-82-4
N-isobutylideneisobutylamine

E

78-81-9
isobutylamine

Conditions

Conditions Yield

With ammonia; hydrogen; palladium on activated charcoal at 180℃; under 760 Torr; Product distribution; Mechanism; other catalyst, temperature;; A 47.1%
B 3%
C 5.7%
D 6.1%
E 19.9%

...Expand

76227-58-2
N-tosyl dimethylketenimine

A

941-55-9
4-toluenesulfonyl azide

B

78-82-0
Isobutyronitrile

C

86439-37-4
N-[1-Amino-2-methyl-prop-2-en-(Z)-ylidene]-4-methyl-benzenesulfonamide

D

86439-38-5
C22H28N2O5S2

Conditions

Conditions Yield

With tris-(2-chloro-ethyl)-amine In diethyl ether Product distribution; A n/a
B n/a
C 14%
D 3%

With tris-(2-chloro-ethyl)-amine In diethyl ether A n/a
B n/a
C 14%
D 3%

...Expand

126-98-7
methacrylonitrile

A

78-82-0
Isobutyronitrile

B

3333-52-6
2,2,3,3-tetramethylsuccinonitrile

C

19355-69-2
2-amino-2-cyanopropane

Conditions

Conditions Yield

With ammonia for 3h; Irradiation; A 3%
B 14%
C 8%

With ammonia for 3h; Irradiation; A 3%
B 14%
C 8%

With ammonia for 3h; Irradiation; A 3%
B 14%
C 8%

...Expand

558-30-5
2-methyl-1,2-epoxypropane

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With aluminum oxide; ammonia; copper at 400 - 430℃;

With silica-alumina; ammonia; silver at 400 - 430℃;

With chromium(III) oxide; ammonia at 350 - 500℃;

With molybdenum(IV) oxide; kieselguhr; ammonia at 350 - 500℃;

56-23-5
tetrachloromethane

4-hydroxy-2,5-dimethyl-hexan-3-on-(O-acetyl oxime )

A

78-82-0
Isobutyronitrile

B

78-84-2
isobutyraldehyde

...Expand

107-85-7
1-amino-3-methylbutane

547-63-7
Methyl isobutyrate

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With aluminum oxide at 500℃;

187737-37-7
propene

74-90-8
hydrogen cyanide

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With mercury tetracarbonylcobaltate (1-)

With dicobalt octacarbonyl; triphenylphosphine

With aluminum oxide; hydrogen at 430 - 505℃;

542-56-3
nitrous acid isobutyl ester

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With hydrogen; nickel at 320 - 330℃;

1113-74-2
diisopropyl ketone oxime

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With aluminum oxide at 350 - 360℃;

With thorium dioxide at 350 - 360℃;

6869-07-4
2,2'-hydrazobis(2-methylpropionitrile)

78-67-1
2,2'-azobis(isobutyronitrile)

78-82-0
Isobutyronitrile

7321-55-3
2,2-dimethylmalononitrile

A

78-82-0
Isobutyronitrile

B

100-47-0
benzonitrile

Conditions

Conditions Yield

With diethyl ether; phenylmagnesium bromide Zersetzung mit kalter verd.HCl;

541-46-8
isobutylamide

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With nickel at 430℃;

5339-41-3
1-Isopropyl-4,4-dimethyl-2-azabutadien

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With copper-zinc catalyst; ammonia at 350℃;

107-44-8
O-isopropyl methylphosphonofluoridate

5440-21-1
3-isonitroso-4-methyl-2-pentanone

A

78-82-0
Isobutyronitrile

B

64-19-7
acetic acid

Conditions

Conditions Yield

at 25℃; Rate constant;

...Expand

3668-74-4
N-isobutyrylisobutyramide

A

78-82-0
Isobutyronitrile

B

79-31-2
isobutyric Acid

Conditions

Conditions Yield

bei rascher Destillation;

5570-70-7
isobutyraldehyde phenylhydrazone

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With hydrogen; nickel at 180 - 190℃;

78-81-9
isobutylamine

78-82-0
Isobutyronitrile

Conditions

Conditions Yield

With copper at 400 - 420℃;

With nickel at 320 - 330℃;

With Ru2Cl4(4'-azulenyl-2,2':6',2''-terpyridine)2; oxygen In methanol at 60℃; under 19001.3 Torr; for 24h; Autoclave;

78-82-0
Isobutyronitrile

109-70-6
1,3-chlorobromopropane

4207-54-9
5-chloro-2,2-dimethylpentanenitrile

Conditions

Conditions Yield

With lithium hexamethyldisilazane at 70℃; for 16h; 100%

With lithium hexamethyldisilazane at 70℃; for 16h; 100%

With lithium hexamethyldisilazane at 70℃; for 16h; 100%

78-82-0
Isobutyronitrile

2032-35-1
Bromoacetaldehyde diethyl acetal

18240-74-9
2,2-dimethyl-4,4-diethoxybutyronitrile

Conditions

Conditions Yield

Stage #1: With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -68℃; for 1.66667h;
Stage #2: Isobutyronitrile In tetrahydrofuran; hexane at -70℃; for 2h;
Stage #3: Bromoacetaldehyde diethyl acetal With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone more than 3 stages; 100%

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h;
Stage #2: Bromoacetaldehyde diethyl acetal In tetrahydrofuran at -20 - 20℃; Reflux; 89%

With lithium diisopropyl amide In N,N,N,N,N,N-hexamethylphosphoric triamide 88%

78-82-0
Isobutyronitrile

293732-19-1
(4,5-dimethoxy-2-iodophenyl)methyl bromide

445006-98-4
3-(2-iodo-4,5-dimethoxyphenyl)-2,2-dimethylpropanenitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 1h;
Stage #2: (4,5-dimethoxy-2-iodophenyl)methyl bromide In tetrahydrofuran; hexane at -78 - 20℃; Further stages.; 100%

78-82-0
Isobutyronitrile

98-95-3
nitrobenzene

588-47-6
N-isobutylaniline

Conditions

Conditions Yield

With hydrogen; palladium on activated charcoal In methanol at 20℃; for 19h; 100%

78-82-0
Isobutyronitrile

4392-24-9
Cinnamyl bromide

87562-50-3
(4E)-2,2-dimethyl-5-phenylpent-4-enenitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 0.5h;
Stage #2: Cinnamyl bromide In tetrahydrofuran at -78 - 20℃; for 2h; 100%

Stage #1: Isobutyronitrile With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 1h;
Stage #2: Cinnamyl bromide In tetrahydrofuran at -78 - 20℃; 91%

Stage #1: Isobutyronitrile With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.166667h; Inert atmosphere;
Stage #2: Cinnamyl bromide In tetrahydrofuran; mineral oil at -78 - 20℃; for 1h; Inert atmosphere; 84%

78-82-0
Isobutyronitrile

((CH3)2PNC6H2(C(CH3)3)3)Zr(C5H5)2(Cl)

(C5H5)2Zr(Cl)(N(C6H2(C(CH3)3)3)P(CH3)2C(CH(CH3)2)N)

Conditions

Conditions Yield

In acetonitrile Ar-atmosphere; stirring (-30°C, 1 h); filtering, washing (MeCN, pentane, -30°C), drying (vac.); elem. anal.; 100%

In further solvent(s) reaction of Me2PN(t-Bu3C6H2)ZrCp2Cl with (i-Pr)CN under Ar;

78-82-0
Isobutyronitrile

823-78-9
meta-bromobenzyl bromide

118255-97-3
3-(3-bromophenyl)-2,2-dimethylpropanenitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran; n-heptane; ethylbenzene at -78℃; for 0.75h;
Stage #2: meta-bromobenzyl bromide In tetrahydrofuran; n-heptane; ethylbenzene for 2h; 100%

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran; n-heptane; ethylbenzene at -78℃; for 0.75h;
Stage #2: meta-bromobenzyl bromide In tetrahydrofuran; n-heptane; ethylbenzene at -78℃; for 2h;

214045-84-8
6-fluoro-3,4-dihydro-2H-isoquinolin-1-one

78-82-0
Isobutyronitrile

1198764-95-2
2-methyl-2-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)-propionitrile

Conditions

Conditions Yield

With potassium hexamethylsilazane In tetrahydrofuran; toluene at 70℃; for 12h; 100%

78-82-0
Isobutyronitrile

446-52-6
2-Fluorobenzaldehyde

1503575-52-7
3-(2-fluoro-phenyl)-3-hydroxy-2,2-dimethyl-propionitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With n-butyllithium; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; hexane at -70 - -10℃; for 0.166667h; Inert atmosphere;
Stage #2: 2-Fluorobenzaldehyde In tetrahydrofuran; hexane at -10 - 20℃; for 1h; 100%

78-82-0
Isobutyronitrile

13717-93-6
3,6-bis(1-methylethyl)-1,2,4,5-tetrazine

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide at 60℃; Inert atmosphere;
Stage #2: With hydrogenchloride; sodium nitrite In water; N,N-dimethyl-formamide at 20℃; Inert atmosphere; 100%

Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide In N,N-dimethyl-formamide at 60℃; Inert atmosphere;
Stage #2: With sodium nitrite In water; N,N-dimethyl-formamide at 20℃;
Stage #3: With hydrogenchloride In water; N,N-dimethyl-formamide pH=2; 100%

Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide at 60℃; Inert atmosphere;
Stage #2: With hydrogenchloride; sodium nitrite In water; N,N-dimethyl-formamide at 20℃; Inert atmosphere; 100%

Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide In N,N-dimethyl-formamide at 60℃; Inert atmosphere;
Stage #2: With hydrogenchloride; sodium nitrite In water; N,N-dimethyl-formamide at 20℃; pH=2; 100%

Stage #1: Isobutyronitrile With zinc trifluoromethanesulfonate; hydrazine at 60℃; for 24h; Inert atmosphere;
Stage #2: With sodium nitrite In water; N,N-dimethyl-formamide Inert atmosphere;
Stage #3: With hydrogenchloride In water; N,N-dimethyl-formamide pH=3; Inert atmosphere; 72%

78-82-0
Isobutyronitrile

563-83-7
ISOPROPYLAMIDE

Conditions

Conditions Yield

With C25H38NiOP2; water In isopropyl alcohol at 80℃; for 3h; Reagent/catalyst; Sealed tube; 99%

With water; tricyclohexylphosphine; {Rh(OMe)(cod)}2 In isopropyl alcohol at 25℃; for 24h; 93%

With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; water; 1-benzyl-1-azonia-3,5-diaza-7-phosphaadamantyl chloride for 1h; Catalytic behavior; Reagent/catalyst; Schlenk technique; Reflux; Green chemistry; 92%

78-82-0
Isobutyronitrile

106-95-6
allyl bromide

2978-30-5
2,2-dimethylpent-4-enenitrile

Conditions

Conditions Yield

With lithium diethylamide In diethyl ether at 20℃; 99%

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran; hexane at 0℃; for 1h; Inert atmosphere;
Stage #2: allyl bromide In tetrahydrofuran; hexane at 0 - 20℃; for 16h; Inert atmosphere; 99%

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.75h;
Stage #2: allyl bromide In tetrahydrofuran at -78 - 20℃; Further stages.; 65%

78-82-0
Isobutyronitrile

17435-72-2
ethyl 2-bromomethyl-2-propenoate

2-(2-Isopropyl-4-methylene-5-oxo-pyrrolidin-2-ylmethyl)-acrylic acid ethyl ester

Conditions

Conditions Yield

With zinc In tetrahydrofuran for 2h; Heating; 99%

78-82-0
Isobutyronitrile

374570-33-9
(2R,3S)-5-iodo-1,2-(isopropylidenedioxy)-3-(methoxymethoxy)pentane

374570-34-0
(5S,6R)-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)-2,2-dimethyl-1-heptanenitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 1h;
Stage #2: (2R,3S)-5-iodo-1,2-(isopropylidenedioxy)-3-(methoxymethoxy)pentane In tetrahydrofuran; hexane at -18℃; for 0.5h; 99%

78-82-0
Isobutyronitrile

623-00-7
4-bromobenzenecarbonitrile

260981-45-1
4-(1-cyano-1-methyl-ethyl)-benzonitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With sodium hexamethyldisilazane In toluene at 25℃; for 0.166667h;
Stage #2: 4-bromobenzenecarbonitrile With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate In toluene at 100℃; for 1h; Further stages.; 99%

With P(i-BuNCH2CH2)3N; sodium hexamethyldisilazane; palladium diacetate In toluene at 100℃; for 2h; 98%

With sodium hexamethyldisilazane In toluene at 100℃; for 1h; 42%

78-82-0
Isobutyronitrile

tetramethylammonium tetrachloroplatinate(II)

146143-90-0, 146055-77-8
cis-bis(isobutyronitrile)dichloroplatinum(II)

Conditions

Conditions Yield

In not given excess nitrile; 99%

78-82-0
Isobutyronitrile

3433-80-5
1-Bromo-2-bromomethyl-benzene

321985-22-2
3-(2-bromophenyl)-2,2-dimethylpropanenitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With lithium hexamethyldisilazane In tetrahydrofuran at 0℃; for 0.333333h;
Stage #2: 1-Bromo-2-bromomethyl-benzene In tetrahydrofuran at 20℃; for 3h; 99%

Stage #1: Isobutyronitrile With lithium hexamethyldisilazane In tetrahydrofuran at 0℃; for 0.333333h;
Stage #2: 1-Bromo-2-bromomethyl-benzene In tetrahydrofuran at 20℃; for 3h; 99%

Stage #1: Isobutyronitrile With lithium hexamethyldisilazane In tetrahydrofuran at 0℃; for 0.333333h;
Stage #2: 1-Bromo-2-bromomethyl-benzene In tetrahydrofuran at 20℃; for 3h; 99%

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Inert atmosphere;
Stage #2: 1-Bromo-2-bromomethyl-benzene In tetrahydrofuran at -78 - 20℃; Inert atmosphere; 68%

With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 12h; Inert atmosphere;

78-82-0
Isobutyronitrile

1357580-85-8
2-(glycidyloxy)-1-naphthonitrile-N-oxide

1403234-98-9
C18H18N2O3

Conditions

Conditions Yield

In N,N-dimethyl-formamide at 90℃; for 4h; 99%

78-82-0
Isobutyronitrile

25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

N-isobutyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine

Conditions

Conditions Yield

With C52H70Mg2N4 In benzene-d6 at 60℃; for 5h; Glovebox; 99%

With manganese(II) triflate bis-acetonitrile solvate; potassium tert-butylate In benzene-d6 at 20℃; for 3h; Inert atmosphere; Glovebox; 98%

With C37H59AlN2 In neat (no solvent) at 60℃; for 1h; Inert atmosphere; 97%

78-82-0
Isobutyronitrile

772-31-6
cyclopropyl(4-fluorophenyl)methanone

A

169280-06-2
2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionitrile

B

C18H22N2O

Conditions

Conditions Yield

With potassium hexamethylsilazane In toluene at 60 - 62℃; for 0.166667h; Reagent/catalyst; Temperature; A 99%
B n/a

...Expand

67-56-1
methanol

78-82-0
Isobutyronitrile

39739-60-1
methyl 2-methylpropionimidate hydrochloride

Conditions

Conditions Yield

With hydrogenchloride In Petroleum ether at 0℃; for 60h; 98%

With hydrogenchloride In hexane at 0℃; for 3h; 98%

With hydrogenchloride 1.) 0 deg C, 2.) 5 deg C, 1-2 d; 95%

78-82-0
Isobutyronitrile

32974-66-6
1-[(1-chloro-1-methylethyl)azo]-2,4,6-trichlorobenzene

5-Isopropyl-2,3-dimethyl-1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazolium Hexachloroantimonate

Conditions

Conditions Yield

With antimonypentachloride In dichloromethane at -60 - 23℃; 98%

78-82-0
Isobutyronitrile

35613-84-4
isobutyramide oxime

Conditions

Conditions Yield

With hydroxylamine In ethanol; water for 5h; Heating / reflux; 98%

With hydroxylamine hydrochloride; potassium hydroxide In methanol for 24h; Reflux; 88%

With hydroxylamine hydrochloride; potassium hydroxide In methanol for 24h; Reflux; 85%

78-82-0
Isobutyronitrile

333-27-7
methyl trifluoromethanesulfonate

76893-87-3
N-methylisobutyronitrilium trifluoromethanesulfonate

Conditions

Conditions Yield

for 48h; Ambient temperature; 98%

95%

78-82-0
Isobutyronitrile

107-30-2
chloromethyl methyl ether

99705-29-0
3-methoxy-2,2-dimethylpropionitrile

Conditions

Conditions Yield

Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran at -70℃; for 1.16667h;
Stage #2: chloromethyl methyl ether In tetrahydrofuran at 20℃; for 1h;
Stage #3: With water; ammonium chloride In tetrahydrofuran 98%

With lithium diisopropyl amide In diethyl ether at -78℃; for 1h; 62%

78-82-0
Isobutyronitrile

19493-44-8
1-chloroisoquinoline

81039-16-9
1-(1-cyano-1-methylethyl)isoquinoline

Conditions

Conditions Yield

With sodium hexamethyldisilazane In tetrahydrofuran; toluene at 0 - 20℃; 98%

4858-85-9
2,3-dichloropyrazine

78-82-0
Isobutyronitrile

2-(3-chloropyrazin-2-yl)-2-methylpropanenitrile

Conditions

Conditions Yield

Stage #1: 2,3-dichloropyrazine With lithium hexamethyldisilazane In toluene
Stage #2: Isobutyronitrile In toluene at 20℃; for 24h; 98%

78-82-0
Isobutyronitrile

849833-56-3, 35613-84-4, 1202858-97-6
N-hydroxyisobutyramidine

Conditions

Conditions Yield

With hydroxylamine In ethanol; water for 5h; Heating / reflux; 98%

With hydroxylamine In ethanol; water for 5h; Heating / reflux; 98%

With hydroxylamine In ethanol; water for 3h; Product distribution / selectivity; Reflux; 98%

78-82-0
Isobutyronitrile

12193-72-5
tricarbonyl(η(6)-1,2,3-trimethoxybenzene)chromium

193291-27-9
2-(3,4-dimethoxy-phenyl)-2-methylpropiononitrile tricarbonylchromium

Conditions

Conditions Yield

With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane N2-atmosphere, in dark; addn. of i-Pr2NH to BuLi (in hexane) at -78°C, nitrile addn. (after 10 min), stirring (-78°C, 15 min), addn. of Cr-complex, 1 h at -78°C, addn. to acid, stirring -78°C, 30 min, warming to room temp.; partitioning between Et2O/aq. KOH, washing of org. layer (water, brine),filtration over MgSO4, evapn. (reduced pressure), chromy. (SiO2, AcOEt/ petroleum ether); elem. anal.; 98%

ISOBUTYRONITRILE Chemical Properties
Name:Isobutyronitrile
Synonyms:2-Methylpropionitrile; Isopropyl cyanide
Molecular Structure:
Molecular Formula:C₄H₇N
Molecular Weight:69.11
EINECS:201-147-5
Melting point:-72 oC
Boiling point:107-108 oC
Flash point:8 oC
Density:0.76
Refractive index:1.372-1.374
Water solubility:35 g/L (20 oC)
ISOBUTYRONITRILE Uses
ISOBUTYRONITRILE 's used as pesticides and organic synthesis, etc.
ISOBUTYRONITRILE Toxicity Data With Reference
1.
skn-rbt 380 mg open MLD
    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 10/29 ,1959.
2.
orl-rat LD50:102 mg/kg
    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 10/29 ,1959.
3.
ihl-rat LCLo:1000 ppm/4H
    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
4.
orl-mus LD50:25 mg/kg
    ARTODN    Archives of Toxicology. 55 (1984),47.
5.
skn-rbt LD50:310 mg/kg
    AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
6.
scu-rbt LDLo:9 mg/kg
    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 5 (1899),161.
7.
scu-frg LDLo:4800 mg/kg
    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 5 (1899),161.
ISOBUTYRONITRILE Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List. EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
ISOBUTYRONITRILE Safety Profile
A poison by ingestion, skin contact, and subcutaneous routes. Mildly toxic by inhalation. A skin irritant. A very dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of NO_x and CN⁻. See also NITRILES.
ISOBUTYRONITRILE Standards and Recommendations
NIOSH REL: (Nitriles) TWA 22 mg/m³
DOT Classification:  3; Label: Flammable Liquid, Poison

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Conditions	Yield
With ammonia; oxidized form SMS-4 Zn-Cr-O at 360℃;	95.8%
With ammonia; oxidized form SMS-4 Zn-Cr-O at 360℃; Product distribution; 1:4 molar ratio n-butyl alcohol/NH3, other temperature (300-420 deg C);;	95.8%
With ammonia; zinc(II) oxide at 19.9℃; Mechanism;

Conditions	Yield
With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate; N,N-dimethyl-formamide at 100℃;	91%
Stage #1: isobutyraldehyde With hydroxylamine hydrochloride; sodium hydroxide In water at 70℃; Stage #2: With copper diacetate; hydrazine In acetonitrile at 90℃; for 0.5h;	80%
With ammonium hydroxide; periodic acid; potassium iodide at 60℃; for 65745h; Green chemistry; Sealed tube;	78%

Conditions	Yield
With ammonium bromide In methanol; water Electrochemical reaction;	91%
With perchloric acid; N,N-Dichlorobenzenesulfonamide In methanol; water at 29.9℃; Rate constant; Kinetics; Thermodynamic data; other amino acids; var. temp. and conditions; ΔH(excit.), ΔS(excit.), ΔG(excit.), Ea; equilibrium constant;
With perchloric acid; N,N-Dichlorobenzenesulfonamide; sodium perchlorate In water; acetic acid at 39.9℃; Rate constant; Kinetics; Thermodynamic data; var. temp. and conditions; Ea, ΔH(excit.), ΔS(excit.), ΔG(excit.);

Conditions	Yield
With S,S-dimethyl dithiocarbonate; triethylamine In 1,4-dioxane at 90℃;	85%
With ethyl cyanoformate; triethylamine In acetonitrile Ambient temperature;	75%
With phenylacetaldoxime dehydratase(Bacillus OxB-1 expres.E.coli) In water at 30℃; for 17h; pH=8.0;

Conditions	Yield
With potassium hydroxide; p-t-butylcalix<6>arene derivative In dichloromethane at 40℃; for 4h;	84%
With 3 A molecular sieve at 90 - 500℃; under 0.01 Torr; for 0.25h; Pyrolysis;	59%
With phosphorus pentoxide durch Destillation;

Conditions	Yield
With tris-(2-chloro-ethyl)-amine In diethyl ether Product distribution;	A n/a B n/a C 14% D 3%
With tris-(2-chloro-ethyl)-amine In diethyl ether	A n/a B n/a C 14% D 3%

Conditions	Yield
With ammonia for 3h; Irradiation;	A 3% B 14% C 8%
With ammonia for 3h; Irradiation;	A 3% B 14% C 8%
With ammonia for 3h; Irradiation;	A 3% B 14% C 8%

Conditions	Yield
With aluminum oxide; ammonia; copper at 400 - 430℃;
With silica-alumina; ammonia; silver at 400 - 430℃;
With chromium(III) oxide; ammonia at 350 - 500℃;
With molybdenum(IV) oxide; kieselguhr; ammonia at 350 - 500℃;

Conditions	Yield
With mercury tetracarbonylcobaltate (1-)
With dicobalt octacarbonyl; triphenylphosphine
With aluminum oxide; hydrogen at 430 - 505℃;

Conditions	Yield
With aluminum oxide at 350 - 360℃;
With thorium dioxide at 350 - 360℃;

Conditions	Yield
With copper at 400 - 420℃;
With nickel at 320 - 330℃;
With Ru2Cl4(4'-azulenyl-2,2':6',2''-terpyridine)2; oxygen In methanol at 60℃; under 19001.3 Torr; for 24h; Autoclave;

Conditions	Yield
With lithium hexamethyldisilazane at 70℃; for 16h;	100%
With lithium hexamethyldisilazane at 70℃; for 16h;	100%
With lithium hexamethyldisilazane at 70℃; for 16h;	100%

Conditions	Yield
Stage #1: With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -68℃; for 1.66667h; Stage #2: Isobutyronitrile In tetrahydrofuran; hexane at -70℃; for 2h; Stage #3: Bromoacetaldehyde diethyl acetal With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone more than 3 stages;	100%
Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Stage #2: Bromoacetaldehyde diethyl acetal In tetrahydrofuran at -20 - 20℃; Reflux;	89%
With lithium diisopropyl amide In N,N,N,N,N,N-hexamethylphosphoric triamide	88%

Conditions	Yield
Stage #1: Isobutyronitrile With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 0.5h; Stage #2: Cinnamyl bromide In tetrahydrofuran at -78 - 20℃; for 2h;	100%
Stage #1: Isobutyronitrile With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 1h; Stage #2: Cinnamyl bromide In tetrahydrofuran at -78 - 20℃;	91%
Stage #1: Isobutyronitrile With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.166667h; Inert atmosphere; Stage #2: Cinnamyl bromide In tetrahydrofuran; mineral oil at -78 - 20℃; for 1h; Inert atmosphere;	84%

Conditions	Yield
In acetonitrile Ar-atmosphere; stirring (-30°C, 1 h); filtering, washing (MeCN, pentane, -30°C), drying (vac.); elem. anal.;	100%
In further solvent(s) reaction of Me2PN(t-Bu3C6H2)ZrCp2Cl with (i-Pr)CN under Ar;

Conditions	Yield
Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide at 60℃; Inert atmosphere; Stage #2: With hydrogenchloride; sodium nitrite In water; N,N-dimethyl-formamide at 20℃; Inert atmosphere;	100%
Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide In N,N-dimethyl-formamide at 60℃; Inert atmosphere; Stage #2: With sodium nitrite In water; N,N-dimethyl-formamide at 20℃; Stage #3: With hydrogenchloride In water; N,N-dimethyl-formamide pH=2;	100%
Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide at 60℃; Inert atmosphere; Stage #2: With hydrogenchloride; sodium nitrite In water; N,N-dimethyl-formamide at 20℃; Inert atmosphere;	100%
Stage #1: Isobutyronitrile With hydrazine hydrate; zinc(II) iodide In N,N-dimethyl-formamide at 60℃; Inert atmosphere; Stage #2: With hydrogenchloride; sodium nitrite In water; N,N-dimethyl-formamide at 20℃; pH=2;	100%
Stage #1: Isobutyronitrile With zinc trifluoromethanesulfonate; hydrazine at 60℃; for 24h; Inert atmosphere; Stage #2: With sodium nitrite In water; N,N-dimethyl-formamide Inert atmosphere; Stage #3: With hydrogenchloride In water; N,N-dimethyl-formamide pH=3; Inert atmosphere;	72%

Conditions	Yield
With C25H38NiOP2; water In isopropyl alcohol at 80℃; for 3h; Reagent/catalyst; Sealed tube;	99%
With water; tricyclohexylphosphine; {Rh(OMe)(cod)}2 In isopropyl alcohol at 25℃; for 24h;	93%
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; water; 1-benzyl-1-azonia-3,5-diaza-7-phosphaadamantyl chloride for 1h; Catalytic behavior; Reagent/catalyst; Schlenk technique; Reflux; Green chemistry;	92%

Conditions	Yield
With lithium diethylamide In diethyl ether at 20℃;	99%
Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran; hexane at 0℃; for 1h; Inert atmosphere; Stage #2: allyl bromide In tetrahydrofuran; hexane at 0 - 20℃; for 16h; Inert atmosphere;	99%
Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.75h; Stage #2: allyl bromide In tetrahydrofuran at -78 - 20℃; Further stages.;	65%

Conditions	Yield
Stage #1: Isobutyronitrile With sodium hexamethyldisilazane In toluene at 25℃; for 0.166667h; Stage #2: 4-bromobenzenecarbonitrile With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate In toluene at 100℃; for 1h; Further stages.;	99%
With P(i-BuNCH2CH2)3N; sodium hexamethyldisilazane; palladium diacetate In toluene at 100℃; for 2h;	98%
With sodium hexamethyldisilazane In toluene at 100℃; for 1h;	42%

Conditions	Yield
With C52H70Mg2N4 In benzene-d6 at 60℃; for 5h; Glovebox;	99%
With manganese(II) triflate bis-acetonitrile solvate; potassium tert-butylate In benzene-d6 at 20℃; for 3h; Inert atmosphere; Glovebox;	98%
With C37H59AlN2 In neat (no solvent) at 60℃; for 1h; Inert atmosphere;	97%

Product Name

Isobutyronitrile

Synthetic route

ISOBUTYRONITRILE Chemical Properties

ISOBUTYRONITRILE Uses

ISOBUTYRONITRILE Toxicity Data With Reference

ISOBUTYRONITRILE Consensus Reports

ISOBUTYRONITRILE Safety Profile

ISOBUTYRONITRILE Standards and Recommendations

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Conditions	Yield
With hydrogenchloride In Petroleum ether at 0℃; for 60h;	98%
With hydrogenchloride In hexane at 0℃; for 3h;	98%
With hydrogenchloride 1.) 0 deg C, 2.) 5 deg C, 1-2 d;	95%

Conditions	Yield
With hydroxylamine In ethanol; water for 5h; Heating / reflux;	98%
With hydroxylamine hydrochloride; potassium hydroxide In methanol for 24h; Reflux;	88%
With hydroxylamine hydrochloride; potassium hydroxide In methanol for 24h; Reflux;	85%

Conditions	Yield
Stage #1: Isobutyronitrile With lithium diisopropyl amide In tetrahydrofuran at -70℃; for 1.16667h; Stage #2: chloromethyl methyl ether In tetrahydrofuran at 20℃; for 1h; Stage #3: With water; ammonium chloride In tetrahydrofuran	98%
With lithium diisopropyl amide In diethyl ether at -78℃; for 1h;	62%

1.	skn-rbt 380 mg open MLD	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 10/29 ,1959.
2.	orl-rat LD50:102 mg/kg	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 10/29 ,1959.
3.	ihl-rat LCLo:1000 ppm/4H	AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95.
4.	orl-mus LD50:25 mg/kg	ARTODN Archives of Toxicology. 55 (1984),47.
5.	skn-rbt LD50:310 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95.
6.	scu-rbt LDLo:9 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 5 (1899),161.
7.	scu-frg LDLo:4800 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 5 (1899),161.